N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide

C30H35N3O2 — CID 142307068

IUPACN-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
SMILESCCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C1Cc2c(C)cc(O)cc2CCN1
InChIInChI=1S/C30H35N3O2/c1-3-22-15-21(14-20-7-5-4-6-8-20)16-26-27(10-12-32-29(22)26)33-30(35)28-18-25-19(2)13-24(34)17-23(25)9-11-31-28/h4-8,13,15-17,27-28,31-32,34H,3,9-12,14,18H2,1-2H3,(H,33,35)
InChIKeyCNFYQIFOFFADJW-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.58
Rot. Bonds5

About N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide

N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide (PubChem CID 142307068) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide.

Molecular Properties

Compound NameN-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
PubChem CID142307068
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
SMILESCCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C1Cc2c(C)cc(O)cc2CCN1
InChIInChI=1S/C30H35N3O2/c1-3-22-15-21(14-20-7-5-4-6-8-20)16-26-27(10-12-32-29(22)26)33-30(35)28-18-25-19(2)13-24(34)17-23(25)9-11-31-28/h4-8,13,15-17,27-28,31-32,34H,3,9-12,14,18H2,1-2H3,(H,33,35)
InChIKeyCNFYQIFOFFADJW-UHFFFAOYSA-N
XLogP4.58
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-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

N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
CID 142307012
N-(8-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
CID 142307016
N-(6-benzyl-8-hydroxy-1,2,3,4-tetrahydroquinolin-4-yl)-6-hydroxy-4-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 142307103
8-hydroxy-N-[6-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
CID 134352219
8-hydroxy-N-[6-[(4-methoxy-2,6-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
CID 134352218
(2S)-2-amino-N-[(4R)-8-[[4-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]piperazin-1-yl]methyl]-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2-ethyl-4-hydroxy-6-methylphenyl)propanamide
CID 134352102
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
CID 134338621
6-hydroxy-4-methyl-N-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 142306900
6-hydroxy-N-[6-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-4-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 142306746
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345256
(2S)-2-amino-N-[(4R)-6-benzyl-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448

Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
The IUPAC name of N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide (CID 142307068) is N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide.
What is the SMILES notation for N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
The canonical SMILES for N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide is CCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C1Cc2c(C)cc(O)cc2CCN1.
What is the InChIKey of N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
The InChIKey is CNFYQIFOFFADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-3-22-15-21(14-20-7-5-4-6-8-20)16-26-27(10-12-32-29(22)26)33-30(35)28-18-25-19(2)13-24(34)17-23(25)9-11-31-28/h4-8,13,15-17,27-28,31-32,34H,3,9-12,14,18H2,1-2H3,(H,33,35).
What are the key properties of N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide is sourced from PubChem (CID 142307068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).