2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

C273H283ClN36O20S4 — CID 159214595

IUPAC2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3C)cc21)N1CCc2ccccc2C1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(C)(=O)=O)cc21)N1CCc2ccccc2C1.CCCS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(C)N1CCc3ccccc3C1)=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=C(NCCCN1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C30H30N4O2.C29H35N3O4S.C28H30N6O.2C28H28N4O.2C27H26N4O.C26H24ClN3OS.C26H30N2O4S.C24H26N2O4S/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;1-20-7-5-6-13-32(20)37(35,36)26-11-10-23-15-25(33)16-28(27(23)17-26)29(34)30-18-21(2)31-14-12-22-8-3-4-9-24(22)19-31;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;32-27(29-14-6-15-31-16-12-20-7-1-2-8-22(20)19-31)24-17-26(21-9-5-13-28-18-21)30-25-11-4-3-10-23(24)25;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;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;1-3-12-33(31,32)23-9-8-20-13-22(29)14-25(24(20)15-23)26(30)27-16-18(2)28-11-10-19-6-4-5-7-21(19)17-28;1-16(26-10-9-17-5-3-4-6-19(17)15-26)14-25-24(28)23-12-20(27)11-18-7-8-21(13-22(18)23)31(2,29)30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);3-4,8-11,16-17,20-21H,5-7,12-15,18-19H2,1-2H3,(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);1-5,7-11,13,17-18H,6,12,14-16,19H2,(H,29,32);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31);4-9,14-15,18H,3,10-13,16-17H2,1-2H3,(H,27,30);3-8,12-13,16H,9-11,14-15H2,1-2H3,(H,25,28)
InChIKeyKQXGYJPCXKEZIY-UHFFFAOYSA-N
MW4552.22 g/mol
LogP41.95
Rot. Bonds62

About 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 159214595) has the molecular formula C273H283ClN36O20S4 and a molecular weight of 4552.22 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID159214595
Molecular FormulaC273H283ClN36O20S4
Molecular Weight4552.22 g/mol
Exact Mass4548.08
IUPAC Name2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3C)cc21)N1CCc2ccccc2C1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(C)(=O)=O)cc21)N1CCc2ccccc2C1.CCCS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(C)N1CCc3ccccc3C1)=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=C(NCCCN1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C30H30N4O2.C29H35N3O4S.C28H30N6O.2C28H28N4O.2C27H26N4O.C26H24ClN3OS.C26H30N2O4S.C24H26N2O4S/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;1-20-7-5-6-13-32(20)37(35,36)26-11-10-23-15-25(33)16-28(27(23)17-26)29(34)30-18-21(2)31-14-12-22-8-3-4-9-24(22)19-31;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;32-27(29-14-6-15-31-16-12-20-7-1-2-8-22(20)19-31)24-17-26(21-9-5-13-28-18-21)30-25-11-4-3-10-23(24)25;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;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;1-3-12-33(31,32)23-9-8-20-13-22(29)14-25(24(20)15-23)26(30)27-16-18(2)28-11-10-19-6-4-5-7-21(19)17-28;1-16(26-10-9-17-5-3-4-6-19(17)15-26)14-25-24(28)23-12-20(27)11-18-7-8-21(13-22(18)23)31(2,29)30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);3-4,8-11,16-17,20-21H,5-7,12-15,18-19H2,1-2H3,(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);1-5,7-11,13,17-18H,6,12,14-16,19H2,(H,29,32);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31);4-9,14-15,18H,3,10-13,16-17H2,1-2H3,(H,27,30);3-8,12-13,16H,9-11,14-15H2,1-2H3,(H,25,28)
InChIKeyKQXGYJPCXKEZIY-UHFFFAOYSA-N
XLogP41.95
TPSA681.87 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds62
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004552.22
LogP ≤ 541.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Analyze 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-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;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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 159214595) is 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-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;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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)c3ccccc3n2)cc1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3C)cc21)N1CCc2ccccc2C1.CC(CNC(=O)C1=CC(=O)Cc2ccc(S(C)(=O)=O)cc21)N1CCc2ccccc2C1.CCCS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(C)N1CCc3ccccc3C1)=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=C(NCCCN1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KQXGYJPCXKEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2.C29H35N3O4S.C28H30N6O.2C28H28N4O.2C27H26N4O.C26H24ClN3OS.C26H30N2O4S.C24H26N2O4S/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;1-20-7-5-6-13-32(20)37(35,36)26-11-10-23-15-25(33)16-28(27(23)17-26)29(34)30-18-21(2)31-14-12-22-8-3-4-9-24(22)19-31;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;32-27(29-14-6-15-31-16-12-20-7-1-2-8-22(20)19-31)24-17-26(21-9-5-13-28-18-21)30-25-11-4-3-10-23(24)25;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;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;1-3-12-33(31,32)23-9-8-20-13-22(29)14-25(24(20)15-23)26(30)27-16-18(2)28-11-10-19-6-4-5-7-21(19)17-28;1-16(26-10-9-17-5-3-4-6-19(17)15-26)14-25-24(28)23-12-20(27)11-18-7-8-21(13-22(18)23)31(2,29)30/h2-5,7-14,19H,6,15-18,20H2,1H3,(H,31,36)(H,32,35);3-4,8-11,16-17,20-21H,5-7,12-15,18-19H2,1-2H3,(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);1-5,7-11,13,17-18H,6,12,14-16,19H2,(H,29,32);1-6,8-12,14,18H,7,13,15-17,19H2,(H,29,32);1-4,6-11,16H,5,12-15,17H2,(H,28,31);4-9,14-15,18H,3,10-13,16-17H2,1-2H3,(H,27,30);3-8,12-13,16H,9-11,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-4-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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 4552.22 g/mol, XLogP of 41.95, 62 rotatable bonds, 11 hydrogen bond donors, and 45 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;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-[2-(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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-7-methylsulfonyl-3-oxo-4H-naphthalene-1-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-oxo-7-propylsulfonyl-4H-naphthalene-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 159214595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).