N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide

C32H28N2O2 — CID 42659177

IUPACN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C32H28N2O2/c1-22-16-17-29-27(18-22)28(21-31(33-29)25-14-9-15-26(20-25)36-2)32(35)34-30(24-12-7-4-8-13-24)19-23-10-5-3-6-11-23/h3-18,20-21,30H,19H2,1-2H3,(H,34,35)
InChIKeyOJNSUJPUJSEQJQ-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.93
Rot. Bonds7

About N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide

N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 42659177) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
PubChem CID42659177
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC NameN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C32H28N2O2/c1-22-16-17-29-27(18-22)28(21-31(33-29)25-14-9-15-26(20-25)36-2)32(35)34-30(24-12-7-4-8-13-24)19-23-10-5-3-6-11-23/h3-18,20-21,30H,19H2,1-2H3,(H,34,35)
InChIKeyOJNSUJPUJSEQJQ-UHFFFAOYSA-N
XLogP6.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
1-(3,4-dichlorophenyl)-N-[(1S)-1,2-diphenylethyl]-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 98425704
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 172636239

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide (CID 42659177) is N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is OJNSUJPUJSEQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-22-16-17-29-27(18-22)28(21-31(33-29)25-14-9-15-26(20-25)36-2)32(35)34-30(24-12-7-4-8-13-24)19-23-10-5-3-6-11-23/h3-18,20-21,30H,19H2,1-2H3,(H,34,35).
What are the key properties of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide?
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 42659177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).