N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide

C29H32N4O2 — CID 44533367

IUPACN-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NC3CCC(CCN4CCc5cc(C#N)ccc5C4)CC3)c2c1
InChIInChI=1S/C29H32N4O2/c1-35-25-8-9-28-27(17-25)26(10-13-31-28)29(34)32-24-6-3-20(4-7-24)11-14-33-15-12-22-16-21(18-30)2-5-23(22)19-33/h2,5,8-10,13,16-17,20,24H,3-4,6-7,11-12,14-15,19H2,1H3,(H,32,34)
InChIKeyGNLPROZBEKMPKU-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide

N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide (PubChem CID 44533367) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide
PubChem CID44533367
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NC3CCC(CCN4CCc5cc(C#N)ccc5C4)CC3)c2c1
InChIInChI=1S/C29H32N4O2/c1-35-25-8-9-28-27(17-25)26(10-13-31-28)29(34)32-24-6-3-20(4-7-24)11-14-33-15-12-22-16-21(18-30)2-5-23(22)19-33/h2,5,8-10,13,16-17,20,24H,3-4,6-7,11-12,14-15,19H2,1H3,(H,32,34)
InChIKeyGNLPROZBEKMPKU-UHFFFAOYSA-N
XLogP4.85
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Viquidil
CID 65753
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
CID 71667377
N-(4-tert-butylphenyl)-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960308
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
N-(4-methoxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 16432965
CID 3168140
CID 3168140
6-(4-cyanophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 10052467
[1-[2-(Dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-benzhydrylpiperazine-1-carboxylate
CID 10580160
N-[2-(dimethylamino)ethyl]-9-methoxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 11741133
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4-methylphenyl]quinoline-3-carboxamide
CID 15511445
N-cyclopropyl-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24959939
N-(4-tert-butylphenyl)-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960671

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide (CID 44533367) is N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide is COc1ccc2nccc(C(=O)NC3CCC(CCN4CCc5cc(C#N)ccc5C4)CC3)c2c1.
What is the InChIKey of N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide?
The InChIKey is GNLPROZBEKMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-35-25-8-9-28-27(17-25)26(10-13-31-28)29(34)32-24-6-3-20(4-7-24)11-14-33-15-12-22-16-21(18-30)2-5-23(22)19-33/h2,5,8-10,13,16-17,20,24H,3-4,6-7,11-12,14-15,19H2,1H3,(H,32,34).
What are the key properties of N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide?
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 44533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).