2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C30H32N2O4 — CID 22334090

IUPAC2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C30H32N2O4/c1-35-23-17-15-20(16-18-23)28-27(29(33)31-21-9-8-12-24(19-21)36-2)25-13-6-7-14-26(25)30(34)32(28)22-10-4-3-5-11-22/h6-9,12-19,22,27-28H,3-5,10-11H2,1-2H3,(H,31,33)
InChIKeyXVZPJJOTGNAWKX-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.96
Rot. Bonds6

About 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 22334090) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID22334090
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C30H32N2O4/c1-35-23-17-15-20(16-18-23)28-27(29(33)31-21-9-8-12-24(19-21)36-2)25-13-6-7-14-26(25)30(34)32(28)22-10-4-3-5-11-22/h6-9,12-19,22,27-28H,3-5,10-11H2,1-2H3,(H,31,33)
InChIKeyXVZPJJOTGNAWKX-UHFFFAOYSA-N
XLogP5.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-phenylbenzamide
CID 976228
N-[2-(Diethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 4617502
3-(3-(Carbamoyl)benzamido)-3-(4-methoxyphenyl)propanoic acid
CID 16049855
N-(8-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-octyl)-acetamide
CID 14969555
10,11-dimethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide
CID 16195355
N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 23112208
N-[4-(7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]naphthalene-2-carboxamide
CID 44390237
[3-[[3-(dimethylamino)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70683652
(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 135393514
4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-(3-methoxyphenyl)benzamide
CID 1106359
3-(4-methoxyphenyl)-4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 3235953
N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 3239678

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 22334090) is 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(C2C(C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is XVZPJJOTGNAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-35-23-17-15-20(16-18-23)28-27(29(33)31-21-9-8-12-24(19-21)36-2)25-13-6-7-14-26(25)30(34)32(28)22-10-4-3-5-11-22/h6-9,12-19,22,27-28H,3-5,10-11H2,1-2H3,(H,31,33).
What are the key properties of 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 22334090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).