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

C31H26N2O2 — CID 42749565

IUPACN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C31H26N2O2/c1-35-25-16-10-15-24(20-25)30-21-27(26-17-8-9-18-28(26)32-30)31(34)33-29(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20-21,29H,19H2,1H3,(H,33,34)
InChIKeyQLFMMTDVSPUAFN-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.62
Rot. Bonds7

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

N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 42749565) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID42749565
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC NameN-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C31H26N2O2/c1-35-25-16-10-15-24(20-25)30-21-27(26-17-8-9-18-28(26)32-30)31(34)33-29(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20-21,29H,19H2,1H3,(H,33,34)
InChIKeyQLFMMTDVSPUAFN-UHFFFAOYSA-N
XLogP6.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 172636239
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 42749565) is N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QLFMMTDVSPUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-35-25-16-10-15-24(20-25)30-21-27(26-17-8-9-18-28(26)32-30)31(34)33-29(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20-21,29H,19H2,1H3,(H,33,34).
What are the key properties of N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 6.62, 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)quinoline-4-carboxamide is sourced from PubChem (CID 42749565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).