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

C28H31N3O2 — CID 142307016

IUPACN-(8-benzyl-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(Cc4ccccc4)cccc31)NCC2
InChIInChI=1S/C28H31N3O2/c1-18-14-22(32)16-20-10-12-29-26(17-24(18)20)28(33)31-25-11-13-30-27-21(8-5-9-23(25)27)15-19-6-3-2-4-7-19/h2-9,14,16,25-26,29-30,32H,10-13,15,17H2,1H3,(H,31,33)
InChIKeyXDLGCSSGUDMSTC-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.02
Rot. Bonds4

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

N-(8-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide (PubChem CID 142307016) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(8-benzyl-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-(8-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide
PubChem CID142307016
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-(8-benzyl-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(Cc4ccccc4)cccc31)NCC2
InChIInChI=1S/C28H31N3O2/c1-18-14-22(32)16-20-10-12-29-26(17-24(18)20)28(33)31-25-11-13-30-27-21(8-5-9-23(25)27)15-19-6-3-2-4-7-19/h2-9,14,16,25-26,29-30,32H,10-13,15,17H2,1H3,(H,31,33)
InChIKeyXDLGCSSGUDMSTC-UHFFFAOYSA-N
XLogP4.02
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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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-(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
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
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
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-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
6-hydroxy-4-methyl-N-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 142306900
ethyl (4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134345130
(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
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
(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

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-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-(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) is N-(8-benzyl-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-(8-benzyl-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-(8-benzyl-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(Cc4ccccc4)cccc31)NCC2.
What is the InChIKey of N-(8-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
The InChIKey is XDLGCSSGUDMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-18-14-22(32)16-20-10-12-29-26(17-24(18)20)28(33)31-25-11-13-30-27-21(8-5-9-23(25)27)15-19-6-3-2-4-7-19/h2-9,14,16,25-26,29-30,32H,10-13,15,17H2,1H3,(H,31,33).
What are the key properties of N-(8-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-8-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide?
N-(8-benzyl-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 441.58 g/mol, XLogP of 4.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-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 142307016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).