N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide

C88H85ClN8O7 — CID 164954463

IUPACN-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide
SMILESCCC(NC(=O)c1ccc2cnccc2c1)c1ccc(C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(C)cc2C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28N2O3.C20H20N2O2.C20H20N2O.C19H17ClN2O/c1-4-27(31-28(32)24-10-11-25-17-30-14-13-23(25)16-24)22-8-6-21(7-9-22)18-34-29(33)26-12-5-19(2)15-20(26)3;1-2-19(15-5-3-14(13-23)4-6-15)22-20(24)17-7-8-18-12-21-10-9-16(18)11-17;1-3-19(15-6-4-14(2)5-7-15)22-20(23)17-8-9-18-13-21-11-10-16(18)12-17;1-2-18(13-5-7-17(20)8-6-13)22-19(23)15-3-4-16-12-21-10-9-14(16)11-15/h5-17,27H,4,18H2,1-3H3,(H,31,32);3-12,19,23H,2,13H2,1H3,(H,22,24);4-13,19H,3H2,1-2H3,(H,22,23);3-12,18H,2H2,1H3,(H,22,23)
InChIKeyAZGOQFOPDSCQOY-UHFFFAOYSA-N
MW1402.15 g/mol
LogP18.89
Rot. Bonds20

About N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide

N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide (PubChem CID 164954463) has the molecular formula C88H85ClN8O7 and a molecular weight of 1402.15 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide
PubChem CID164954463
Molecular FormulaC88H85ClN8O7
Molecular Weight1402.15 g/mol
Exact Mass1400.62
IUPAC NameN-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide
SMILESCCC(NC(=O)c1ccc2cnccc2c1)c1ccc(C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(C)cc2C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28N2O3.C20H20N2O2.C20H20N2O.C19H17ClN2O/c1-4-27(31-28(32)24-10-11-25-17-30-14-13-23(25)16-24)22-8-6-21(7-9-22)18-34-29(33)26-12-5-19(2)15-20(26)3;1-2-19(15-5-3-14(13-23)4-6-15)22-20(24)17-7-8-18-12-21-10-9-16(18)11-17;1-3-19(15-6-4-14(2)5-7-15)22-20(23)17-8-9-18-13-21-11-10-16(18)12-17;1-2-18(13-5-7-17(20)8-6-13)22-19(23)15-3-4-16-12-21-10-9-14(16)11-15/h5-17,27H,4,18H2,1-3H3,(H,31,32);3-12,19,23H,2,13H2,1H3,(H,22,24);4-13,19H,3H2,1-2H3,(H,22,23);3-12,18H,2H2,1H3,(H,22,23)
InChIKeyAZGOQFOPDSCQOY-UHFFFAOYSA-N
XLogP18.89
TPSA214.49 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001402.15
LogP ≤ 518.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-isoquinolin-6-ylbenzamide;2,2,2-trifluoroacetic acid
CID 117073588
5-tert-butyl-4-chloroisoquinoline;5-tert-butyl-4-(difluoromethyl)isoquinoline;5-tert-butyl-4-fluoroisoquinoline;5-tert-butylisoquinoline;(5-tert-butylisoquinolin-4-yl)methanol;5-tert-butyl-4-methylisoquinoline;5-tert-butyl-4-methyl-2H-isoquinolin-1-one;5-tert-butyl-4-(trifluoromethyl)isoquinoline
CID 160880994
5'-[(2-Chloroisonicotinoyl)amino]-2'-methyl-1,1'-biphenyl-4-carboxylic acid Methyl 5'-[(2-chloroisonicotinoyl)amino]-2'-methyl-1,1'-biphenyl-4-carboxylate
CID 86595280
ethyl 5-[4-[(2R)-2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]naphthalene-1-carboxylate
CID 87676234
ethyl 5-[4-[(2R)-2-[[(2S)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]naphthalene-1-carboxylate
CID 87873010
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 3-[6-[[3-amino-2-[4-(hydroxymethyl)phenyl]propanoyl]amino]isoquinolin-8-yl]benzoate
CID 139554166
(E)-4-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]amino]-4-oxo-2,3-diphenylbut-2-enoic acid
CID 146452312
4-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]amino]-4-oxo-2,3-diphenylbut-2-enoic acid
CID 153516061
[4-[(2S)-3-amino-1-[(8-methyl-1,6-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]phenyl]methyl 5-[2-[[(2S)-3-amino-2-[4-(benzoyloxymethyl)phenyl]propanoyl]amino]-8-chloro-1,6-naphthyridin-4-yl]-2-methylbenzoate
CID 156169302
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]-4-isoquinolin-6-yl-3-oxobutyl]carbamate;2,4-dimethylbenzoic acid;[4-[4-isoquinolin-6-yl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
CID 157222659
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]-4-isoquinolin-6-yl-3-oxobutyl]carbamate;cyclohexanecarboxylic acid;[4-[4-isoquinolin-6-yl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutan-2-yl]phenyl]methyl cyclohexanecarboxylate;methane
CID 157234012
3-[2-[(1S)-6-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 157244106

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide (CID 164954463) is N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide is CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(C)cc2C)cc1.CCC(NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide?
The InChIKey is AZGOQFOPDSCQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3.C20H20N2O2.C20H20N2O.C19H17ClN2O/c1-4-27(31-28(32)24-10-11-25-17-30-14-13-23(25)16-24)22-8-6-21(7-9-22)18-34-29(33)26-12-5-19(2)15-20(26)3;1-2-19(15-5-3-14(13-23)4-6-15)22-20(24)17-7-8-18-12-21-10-9-16(18)11-17;1-3-19(15-6-4-14(2)5-7-15)22-20(23)17-8-9-18-13-21-11-10-16(18)12-17;1-2-18(13-5-7-17(20)8-6-13)22-19(23)15-3-4-16-12-21-10-9-14(16)11-15/h5-17,27H,4,18H2,1-3H3,(H,31,32);3-12,19,23H,2,13H2,1H3,(H,22,24);4-13,19H,3H2,1-2H3,(H,22,23);3-12,18H,2H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide?
N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide has a molecular weight of 1402.15 g/mol, XLogP of 18.89, 20 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]isoquinoline-6-carboxamide;N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-carboxamide;[4-[1-(isoquinoline-6-carbonylamino)propyl]phenyl]methyl 2,4-dimethylbenzoate;N-[1-(4-methylphenyl)propyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 164954463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).