2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide

C309H337ClN40O27S6 — CID 158018693

IUPAC2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.CCCCN(CC)S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)NCCCN3CCc4ccccc4C3)c12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccccn2)nc2ccccc12.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C1
InChIInChI=1S/C30H30N4O2.2C29H35N3O4S.C29H37N3O4S.C28H30N6O.2C28H28N4O.C28H33N3O4S.C27H26N4O.C27H31N3O4S.C26H24ClN3OS/c1-21(35)32-25-13-11-23(12-14-25)29-19-27(26-9-4-5-10-28(26)33-29)30(36)31-16-6-17-34-18-15-22-7-2-3-8-24(22)20-34;1-21-7-4-5-15-32(21)37(35,36)26-11-10-23-17-25(33)18-28(27(23)19-26)29(34)30-13-6-14-31-16-12-22-8-2-3-9-24(22)20-31;33-25-18-23-10-11-26(37(35,36)32-15-5-1-2-6-16-32)20-27(23)28(19-25)29(34)30-13-7-14-31-17-12-22-8-3-4-9-24(22)21-31;1-3-5-16-32(4-2)37(35,36)26-12-11-23-18-25(33)19-28(27(23)20-26)29(34)30-14-8-15-31-17-13-22-9-6-7-10-24(22)21-31;1-19-26-23(28(35)30-14-6-15-33-16-12-20-7-2-3-8-22(20)18-33)17-24(21-10-11-21)31-27(26)34(32-19)25-9-4-5-13-29-25;1-20-9-10-26-24(16-20)25(17-27(31-26)22-8-4-12-29-18-22)28(33)30-13-5-14-32-15-11-21-6-2-3-7-23(21)19-32;1-20-10-11-25-23(17-20)24(18-27(31-25)26-9-4-5-13-29-26)28(33)30-14-6-15-32-16-12-21-7-2-3-8-22(21)19-32;32-24-17-22-9-10-25(36(34,35)31-14-4-1-5-15-31)19-26(22)27(18-24)28(33)29-12-6-13-30-16-11-21-7-2-3-8-23(21)20-30;32-27(29-15-7-16-31-17-13-20-8-1-2-9-21(20)19-31)23-18-26(25-12-5-6-14-28-25)30-24-11-4-3-10-22(23)24;31-23-16-21-8-9-24(35(33,34)30-13-3-4-14-30)18-25(21)26(17-23)27(32)28-11-5-12-29-15-10-20-6-1-2-7-22(20)19-29;27-25-11-10-24(32-25)23-16-21(20-8-3-4-9-22(20)29-23)26(31)28-13-5-14-30-15-12-18-6-1-2-7-19(18)17-30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);2-3,8-11,18-19,21H,4-7,12-17,20H2,1H3,(H,30,34);3-4,8-11,19-20H,1-2,5-7,12-18,21H2,(H,30,34);6-7,9-12,19-20H,3-5,8,13-18,21H2,1-2H3,(H,30,34);2-5,7-9,13,17,21H,6,10-12,14-16,18H2,1H3,(H,30,35);2-4,6-10,12,16-18H,5,11,13-15,19H2,1H3,(H,30,33);2-5,7-11,13,17-18H,6,12,14-16,19H2,1H3,(H,30,33);2-3,7-10,18-19H,1,4-6,11-17,20H2,(H,29,33);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-2,6-9,17-18H,3-5,10-16,19H2,(H,28,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31)
InChIKeyFFUKPNXIQZYTPD-UHFFFAOYSA-N
MW5271.20 g/mol
LogP44.75
Rot. Bonds77

About 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 158018693) has the molecular formula C309H337ClN40O27S6 and a molecular weight of 5271.20 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID158018693
Molecular FormulaC309H337ClN40O27S6
Molecular Weight5271.20 g/mol
Exact Mass5266.42
IUPAC Name2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.CCCCN(CC)S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)NCCCN3CCc4ccccc4C3)c12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccccn2)nc2ccccc12.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C1
InChIInChI=1S/C30H30N4O2.2C29H35N3O4S.C29H37N3O4S.C28H30N6O.2C28H28N4O.C28H33N3O4S.C27H26N4O.C27H31N3O4S.C26H24ClN3OS/c1-21(35)32-25-13-11-23(12-14-25)29-19-27(26-9-4-5-10-28(26)33-29)30(36)31-16-6-17-34-18-15-22-7-2-3-8-24(22)20-34;1-21-7-4-5-15-32(21)37(35,36)26-11-10-23-17-25(33)18-28(27(23)19-26)29(34)30-13-6-14-31-16-12-22-8-2-3-9-24(22)20-31;33-25-18-23-10-11-26(37(35,36)32-15-5-1-2-6-16-32)20-27(23)28(19-25)29(34)30-13-7-14-31-17-12-22-8-3-4-9-24(22)21-31;1-3-5-16-32(4-2)37(35,36)26-12-11-23-18-25(33)19-28(27(23)20-26)29(34)30-14-8-15-31-17-13-22-9-6-7-10-24(22)21-31;1-19-26-23(28(35)30-14-6-15-33-16-12-20-7-2-3-8-22(20)18-33)17-24(21-10-11-21)31-27(26)34(32-19)25-9-4-5-13-29-25;1-20-9-10-26-24(16-20)25(17-27(31-26)22-8-4-12-29-18-22)28(33)30-13-5-14-32-15-11-21-6-2-3-7-23(21)19-32;1-20-10-11-25-23(17-20)24(18-27(31-25)26-9-4-5-13-29-26)28(33)30-14-6-15-32-16-12-21-7-2-3-8-22(21)19-32;32-24-17-22-9-10-25(36(34,35)31-14-4-1-5-15-31)19-26(22)27(18-24)28(33)29-12-6-13-30-16-11-21-7-2-3-8-23(21)20-30;32-27(29-15-7-16-31-17-13-20-8-1-2-9-21(20)19-31)23-18-26(25-12-5-6-14-28-25)30-24-11-4-3-10-22(23)24;31-23-16-21-8-9-24(35(33,34)30-13-3-4-14-30)18-25(21)26(17-23)27(32)28-11-5-12-29-15-10-20-6-1-2-7-22(20)19-29;27-25-11-10-24(32-25)23-16-21(20-8-3-4-9-22(20)29-23)26(31)28-13-5-14-30-15-12-18-6-1-2-7-19(18)17-30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);2-3,8-11,18-19,21H,4-7,12-17,20H2,1H3,(H,30,34);3-4,8-11,19-20H,1-2,5-7,12-18,21H2,(H,30,34);6-7,9-12,19-20H,3-5,8,13-18,21H2,1-2H3,(H,30,34);2-5,7-9,13,17,21H,6,10-12,14-16,18H2,1H3,(H,30,35);2-4,6-10,12,16-18H,5,11,13-15,19H2,1H3,(H,30,33);2-5,7-11,13,17-18H,6,12,14-16,19H2,1H3,(H,30,33);2-3,7-10,18-19H,1,4-6,11-17,20H2,(H,29,33);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-2,6-9,17-18H,3-5,10-16,19H2,(H,28,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31)
InChIKeyFFUKPNXIQZYTPD-UHFFFAOYSA-N
XLogP44.75
TPSA803.81 Ų
H-Bond Donors12
H-Bond Acceptors51
Rotatable Bonds77
Heavy Atoms383
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005271.20
LogP ≤ 544.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1051

Analyze 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 158018693) is 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.CCCCN(CC)S(=O)(=O)c1ccc2c(c1)C(C(=O)NCCCN1CCc3ccccc3C1)=CC(=O)C2.Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCc4ccccc4C3)c2c1.Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)NCCCN3CCc4ccccc4C3)c12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccccn2)nc2ccccc12.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCC3)ccc2C1.O=C1C=C(C(=O)NCCCN2CCc3ccccc3C2)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is FFUKPNXIQZYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2.2C29H35N3O4S.C29H37N3O4S.C28H30N6O.2C28H28N4O.C28H33N3O4S.C27H26N4O.C27H31N3O4S.C26H24ClN3OS/c1-21(35)32-25-13-11-23(12-14-25)29-19-27(26-9-4-5-10-28(26)33-29)30(36)31-16-6-17-34-18-15-22-7-2-3-8-24(22)20-34;1-21-7-4-5-15-32(21)37(35,36)26-11-10-23-17-25(33)18-28(27(23)19-26)29(34)30-13-6-14-31-16-12-22-8-2-3-9-24(22)20-31;33-25-18-23-10-11-26(37(35,36)32-15-5-1-2-6-16-32)20-27(23)28(19-25)29(34)30-13-7-14-31-17-12-22-8-3-4-9-24(22)21-31;1-3-5-16-32(4-2)37(35,36)26-12-11-23-18-25(33)19-28(27(23)20-26)29(34)30-14-8-15-31-17-13-22-9-6-7-10-24(22)21-31;1-19-26-23(28(35)30-14-6-15-33-16-12-20-7-2-3-8-22(20)18-33)17-24(21-10-11-21)31-27(26)34(32-19)25-9-4-5-13-29-25;1-20-9-10-26-24(16-20)25(17-27(31-26)22-8-4-12-29-18-22)28(33)30-13-5-14-32-15-11-21-6-2-3-7-23(21)19-32;1-20-10-11-25-23(17-20)24(18-27(31-25)26-9-4-5-13-29-26)28(33)30-14-6-15-32-16-12-21-7-2-3-8-22(21)19-32;32-24-17-22-9-10-25(36(34,35)31-14-4-1-5-15-31)19-26(22)27(18-24)28(33)29-12-6-13-30-16-11-21-7-2-3-8-23(21)20-30;32-27(29-15-7-16-31-17-13-20-8-1-2-9-21(20)19-31)23-18-26(25-12-5-6-14-28-25)30-24-11-4-3-10-22(23)24;31-23-16-21-8-9-24(35(33,34)30-13-3-4-14-30)18-25(21)26(17-23)27(32)28-11-5-12-29-15-10-20-6-1-2-7-22(20)19-29;27-25-11-10-24(32-25)23-16-21(20-8-3-4-9-22(20)29-23)26(31)28-13-5-14-30-15-12-18-6-1-2-7-19(18)17-30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);2-3,8-11,18-19,21H,4-7,12-17,20H2,1H3,(H,30,34);3-4,8-11,19-20H,1-2,5-7,12-18,21H2,(H,30,34);6-7,9-12,19-20H,3-5,8,13-18,21H2,1-2H3,(H,30,34);2-5,7-9,13,17,21H,6,10-12,14-16,18H2,1H3,(H,30,35);2-4,6-10,12,16-18H,5,11,13-15,19H2,1H3,(H,30,33);2-5,7-11,13,17-18H,6,12,14-16,19H2,1H3,(H,30,33);2-3,7-10,18-19H,1,4-6,11-17,20H2,(H,29,33);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-2,6-9,17-18H,3-5,10-16,19H2,(H,28,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31).
What are the key properties of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 5271.20 g/mol, XLogP of 44.75, 77 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;7-(azepan-1-ylsulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;7-[butyl(ethyl)sulfamoyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-4H-naphthalene-1-carboxamide;2-(5-chlorothiophen-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-carboxamide;6-cyclopropyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-(2-methylpiperidin-1-yl)sulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-piperidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-pyrrolidin-1-ylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 158018693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).