N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide

C221H285FN24O29 — CID 161045752

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide
SMILESCOc1cc(CC2CCOCC2)cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccc1F.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ncn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCOCC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CCCN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)n1
InChIInChI=1S/C26H35N3O3.C26H34N2O4.C25H31FN2O3.2C25H32N2O3.C24H31N3O3.C24H30N2O4.2C23H30N4O3/c30-25(20-29-12-10-22-7-1-2-8-24(22)19-29)18-27-26(31)23-9-3-5-21(17-23)6-4-11-28-13-15-32-16-14-28;1-31-25-14-20(12-19-7-10-32-11-8-19)13-23(15-25)26(30)27-16-24(29)18-28-9-6-21-4-2-3-5-22(21)17-28;26-24-6-5-19(13-18-8-11-31-12-9-18)14-23(24)25(30)27-15-22(29)17-28-10-7-20-3-1-2-4-21(20)16-28;28-24(17-27-11-10-21-7-1-2-8-23(21)16-27)15-26-25(29)22-9-3-5-19(14-22)13-20-6-4-12-30-18-20;28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-22(17-27-10-6-20-3-1-2-4-21(20)16-27)15-26-24(29)23-14-19(5-9-25-23)13-18-7-11-30-12-8-18;27-21(17-26-12-9-18-3-1-2-4-20(18)16-26)15-25-24(28)19-5-7-22(8-6-19)30-23-10-13-29-14-11-23;28-20(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)21-5-9-24-22(26-21)13-17-7-11-30-12-8-17;28-21(15-27-8-5-18-3-1-2-4-19(18)14-27)13-24-23(29)22-12-20(25-16-26-22)11-17-6-9-30-10-7-17/h1-3,5,7-9,17,25,30H,4,6,10-16,18-20H2,(H,27,31);2-5,13-15,19,24,29H,6-12,16-18H2,1H3,(H,27,30);1-6,14,18,22,29H,7-13,15-17H2,(H,27,30);1-3,5,7-9,14,20,24,28H,4,6,10-13,15-18H2,(H,26,29);1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-5,9,14,18,22,28H,6-8,10-13,15-17H2,(H,26,29);1-8,21,23,27H,9-17H2,(H,25,28);1-5,9,17,20,28H,6-8,10-16H2,(H,25,29);1-4,12,16-17,21,28H,5-11,13-15H2,(H,24,29)
InChIKeyUBMCUGOAGDICQC-UHFFFAOYSA-N
MW3760.85 g/mol
LogP21.25
Rot. Bonds66

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide (PubChem CID 161045752) has the molecular formula C221H285FN24O29 and a molecular weight of 3760.85 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide
PubChem CID161045752
Molecular FormulaC221H285FN24O29
Molecular Weight3760.85 g/mol
Exact Mass3758.15
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide
SMILESCOc1cc(CC2CCOCC2)cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccc1F.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ncn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCOCC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CCCN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)n1
InChIInChI=1S/C26H35N3O3.C26H34N2O4.C25H31FN2O3.2C25H32N2O3.C24H31N3O3.C24H30N2O4.2C23H30N4O3/c30-25(20-29-12-10-22-7-1-2-8-24(22)19-29)18-27-26(31)23-9-3-5-21(17-23)6-4-11-28-13-15-32-16-14-28;1-31-25-14-20(12-19-7-10-32-11-8-19)13-23(15-25)26(30)27-16-24(29)18-28-9-6-21-4-2-3-5-22(21)17-28;26-24-6-5-19(13-18-8-11-31-12-9-18)14-23(24)25(30)27-15-22(29)17-28-10-7-20-3-1-2-4-21(20)16-28;28-24(17-27-11-10-21-7-1-2-8-23(21)16-27)15-26-25(29)22-9-3-5-19(14-22)13-20-6-4-12-30-18-20;28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-22(17-27-10-6-20-3-1-2-4-21(20)16-27)15-26-24(29)23-14-19(5-9-25-23)13-18-7-11-30-12-8-18;27-21(17-26-12-9-18-3-1-2-4-20(18)16-26)15-25-24(28)19-5-7-22(8-6-19)30-23-10-13-29-14-11-23;28-20(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)21-5-9-24-22(26-21)13-17-7-11-30-12-8-17;28-21(15-27-8-5-18-3-1-2-4-19(18)14-27)13-24-23(29)22-12-20(25-16-26-22)11-17-6-9-30-10-7-17/h1-3,5,7-9,17,25,30H,4,6,10-16,18-20H2,(H,27,31);2-5,13-15,19,24,29H,6-12,16-18H2,1H3,(H,27,30);1-6,14,18,22,29H,7-13,15-17H2,(H,27,30);1-3,5,7-9,14,20,24,28H,4,6,10-13,15-18H2,(H,26,29);1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-5,9,14,18,22,28H,6-8,10-13,15-17H2,(H,26,29);1-8,21,23,27H,9-17H2,(H,25,28);1-5,9,17,20,28H,6-8,10-16H2,(H,25,29);1-4,12,16-17,21,28H,5-11,13-15H2,(H,24,29)
InChIKeyUBMCUGOAGDICQC-UHFFFAOYSA-N
XLogP21.25
TPSA642.35 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds66
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003760.85
LogP ≤ 521.25
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide
CID 149236875
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
CID 146843257
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide
CID 147846071
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-fluoro-5-(oxan-4-ylamino)phenyl]-4-hydroxypentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide
CID 159877831
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-methoxycyclobutyl)methyl]pyrimidine-4-carboxamide
CID 147633885
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide
CID 159811631
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
CID 147382402
N-[(2S)-3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 162012287
3-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide
CID 157346985
4-cyclohexyloxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide
CID 147948178
6-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 158007785
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 146253808

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide (CID 161045752) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide is COc1cc(CC2CCOCC2)cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccc1F.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cc(CC2CCOCC2)ncn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCOCC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCCOC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CCCN2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)n1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide?
The InChIKey is UBMCUGOAGDICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3.C26H34N2O4.C25H31FN2O3.2C25H32N2O3.C24H31N3O3.C24H30N2O4.2C23H30N4O3/c30-25(20-29-12-10-22-7-1-2-8-24(22)19-29)18-27-26(31)23-9-3-5-21(17-23)6-4-11-28-13-15-32-16-14-28;1-31-25-14-20(12-19-7-10-32-11-8-19)13-23(15-25)26(30)27-16-24(29)18-28-9-6-21-4-2-3-5-22(21)17-28;26-24-6-5-19(13-18-8-11-31-12-9-18)14-23(24)25(30)27-15-22(29)17-28-10-7-20-3-1-2-4-21(20)16-28;28-24(17-27-11-10-21-7-1-2-8-23(21)16-27)15-26-25(29)22-9-3-5-19(14-22)13-20-6-4-12-30-18-20;28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-22(17-27-10-6-20-3-1-2-4-21(20)16-27)15-26-24(29)23-14-19(5-9-25-23)13-18-7-11-30-12-8-18;27-21(17-26-12-9-18-3-1-2-4-20(18)16-26)15-25-24(28)19-5-7-22(8-6-19)30-23-10-13-29-14-11-23;28-20(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)21-5-9-24-22(26-21)13-17-7-11-30-12-8-17;28-21(15-27-8-5-18-3-1-2-4-19(18)14-27)13-24-23(29)22-12-20(25-16-26-22)11-17-6-9-30-10-7-17/h1-3,5,7-9,17,25,30H,4,6,10-16,18-20H2,(H,27,31);2-5,13-15,19,24,29H,6-12,16-18H2,1H3,(H,27,30);1-6,14,18,22,29H,7-13,15-17H2,(H,27,30);1-3,5,7-9,14,20,24,28H,4,6,10-13,15-18H2,(H,26,29);1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-5,9,14,18,22,28H,6-8,10-13,15-17H2,(H,26,29);1-8,21,23,27H,9-17H2,(H,25,28);1-5,9,17,20,28H,6-8,10-16H2,(H,25,29);1-4,12,16-17,21,28H,5-11,13-15H2,(H,24,29).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide has a molecular weight of 3760.85 g/mol, XLogP of 21.25, 66 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 161045752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).