2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide

C23H18N2O2 — CID 1009238

IUPAC2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C23H18N2O2/c1-27-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)25-22)23(26)24-17-9-3-2-4-10-17/h2-15H,1H3,(H,24,26)
InChIKeyJQHPUPICFOQULA-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide

2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide (PubChem CID 1009238) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide
PubChem CID1009238
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C23H18N2O2/c1-27-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)25-22)23(26)24-17-9-3-2-4-10-17/h2-15H,1H3,(H,24,26)
InChIKeyJQHPUPICFOQULA-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
Jtc-801
CID 5311339
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
Viquidil
CID 65753
Cdn1163
CID 16016585
N',2-diphenylquinoline-4-carbohydrazide
CID 16049828
(1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 24799619
(1R,2R)-1-N-hydroxy-2-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24800829
Biarylether amide quinoline, 4b
CID 44472992
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide (CID 1009238) is 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide?
The InChIKey is JQHPUPICFOQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)25-22)23(26)24-17-9-3-2-4-10-17/h2-15H,1H3,(H,24,26).
What are the key properties of 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1009238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).