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

C28H30BrN3O2 — CID 142307012

IUPACN-(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
SMILESCc1cc(O)cc2c1CC(C(=O)NC1CCNc3c(Br)cc(Cc4ccccc4)cc31)NCC2
InChIInChI=1S/C28H30BrN3O2/c1-17-11-21(33)15-20-7-9-30-26(16-22(17)20)28(34)32-25-8-10-31-27-23(25)13-19(14-24(27)29)12-18-5-3-2-4-6-18/h2-6,11,13-15,25-26,30-31,33H,7-10,12,16H2,1H3,(H,32,34)
InChIKeyBOIBDZYYJCYRPO-UHFFFAOYSA-N
MW520.47 g/mol
LogP4.78
Rot. Bonds4

About 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

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 (PubChem CID 142307012) has the molecular formula C28H30BrN3O2 and a molecular weight of 520.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID142307012
Molecular FormulaC28H30BrN3O2
Molecular Weight520.47 g/mol
Exact Mass519.15
IUPAC NameN-(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
SMILESCc1cc(O)cc2c1CC(C(=O)NC1CCNc3c(Br)cc(Cc4ccccc4)cc31)NCC2
InChIInChI=1S/C28H30BrN3O2/c1-17-11-21(33)15-20-7-9-30-26(16-22(17)20)28(34)32-25-8-10-31-27-23(25)13-19(14-24(27)29)12-18-5-3-2-4-6-18/h2-6,11,13-15,25-26,30-31,33H,7-10,12,16H2,1H3,(H,32,34)
InChIKeyBOIBDZYYJCYRPO-UHFFFAOYSA-N
XLogP4.78
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 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-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
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
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-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
(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-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
(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
N-(6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)-3-(4-hydroxy-2-methylphenyl)-2-(methylideneamino)propanamide
CID 142306739

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(O)cc2c1CC(C(=O)NC1CCNc3c(Br)cc(Cc4ccccc4)cc31)NCC2.
What is the InChIKey of 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?
The InChIKey is BOIBDZYYJCYRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrN3O2/c1-17-11-21(33)15-20-7-9-30-26(16-22(17)20)28(34)32-25-8-10-31-27-23(25)13-19(14-24(27)29)12-18-5-3-2-4-6-18/h2-6,11,13-15,25-26,30-31,33H,7-10,12,16H2,1H3,(H,32,34).
What are the key properties of 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?
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 has a molecular weight of 520.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142307012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).