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

C29H33N3O3 — CID 134352219

IUPAC8-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
SMILESCOc1ccc(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)cc1
InChIInChI=1S/C29H33N3O3/c1-18-13-22(33)16-21-9-11-31-28(17-24(18)21)29(34)32-27-10-12-30-26-8-5-20(15-25(26)27)14-19-3-6-23(35-2)7-4-19/h3-8,13,15-16,27-28,30-31,33H,9-12,14,17H2,1-2H3,(H,32,34)
InChIKeyMDUONCQXRDNMBV-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.03
Rot. Bonds5

About 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

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 (PubChem CID 134352219) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID134352219
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name8-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
SMILESCOc1ccc(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)cc1
InChIInChI=1S/C29H33N3O3/c1-18-13-22(33)16-21-9-11-31-28(17-24(18)21)29(34)32-27-10-12-30-26-8-5-20(15-25(26)27)14-19-3-6-23(35-2)7-4-19/h3-8,13,15-16,27-28,30-31,33H,9-12,14,17H2,1-2H3,(H,32,34)
InChIKeyMDUONCQXRDNMBV-UHFFFAOYSA-N
XLogP4.03
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 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

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
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-(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
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
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
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
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
CID 134345143
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(4R)-6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
CID 134345461
(2S)-2-amino-N-(6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4-hydroxyphenyl)propanamide
CID 91363644
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
(2S)-2-amino-N-[(4R)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 155532589
2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338649

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)cc1.
What is the InChIKey of 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?
The InChIKey is MDUONCQXRDNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-18-13-22(33)16-21-9-11-31-28(17-24(18)21)29(34)32-27-10-12-30-26-8-5-20(15-25(26)27)14-19-3-6-23(35-2)7-4-19/h3-8,13,15-16,27-28,30-31,33H,9-12,14,17H2,1-2H3,(H,32,34).
What are the key properties of 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?
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 has a molecular weight of 471.60 g/mol, XLogP of 4.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134352219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).