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

C31H37N3O3 — CID 134352218

IUPAC8-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
SMILESCOc1cc(C)c(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)c(C)c1
InChIInChI=1S/C31H37N3O3/c1-18-11-23(35)16-22-7-9-33-30(17-26(18)22)31(36)34-29-8-10-32-28-6-5-21(15-27(28)29)14-25-19(2)12-24(37-4)13-20(25)3/h5-6,11-13,15-16,29-30,32-33,35H,7-10,14,17H2,1-4H3,(H,34,36)
InChIKeyDYHIEBGYYHIANF-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.65
Rot. Bonds5

About 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

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 (PubChem CID 134352218) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID134352218
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name8-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
SMILESCOc1cc(C)c(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)c(C)c1
InChIInChI=1S/C31H37N3O3/c1-18-11-23(35)16-22-7-9-33-30(17-26(18)22)31(36)34-29-8-10-32-28-6-5-21(15-27(28)29)14-25-19(2)12-24(37-4)13-20(25)3/h5-6,11-13,15-16,29-30,32-33,35H,7-10,14,17H2,1-4H3,(H,34,36)
InChIKeyDYHIEBGYYHIANF-UHFFFAOYSA-N
XLogP4.65
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 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-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
CID 134352219
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-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-(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
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
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
4-[(4-tert-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3,5-dimethylphenol
CID 134338555
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
(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
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
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-methoxy-2,6-dimethylphenyl)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-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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C)c(Cc2ccc3c(c2)C(NC(=O)C2Cc4c(C)cc(O)cc4CCN2)CCN3)c(C)c1.
What is the InChIKey of 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?
The InChIKey is DYHIEBGYYHIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-18-11-23(35)16-22-7-9-33-30(17-26(18)22)31(36)34-29-8-10-32-28-6-5-21(15-27(28)29)14-25-19(2)12-24(37-4)13-20(25)3/h5-6,11-13,15-16,29-30,32-33,35H,7-10,14,17H2,1-4H3,(H,34,36).
What are the key properties of 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?
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 has a molecular weight of 499.66 g/mol, XLogP of 4.65, 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-methoxy-2,6-dimethylphenyl)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 134352218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).