4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide

C23H18N2O3 — CID 137464807

IUPAC4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H18N2O3/c26-22-19-11-4-5-12-21(19)24-14-20(22)23(27)25-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,26)(H,25,27)
InChIKeyXANNBAUPAKDOLB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.36
Rot. Bonds5

About 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide

4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide (PubChem CID 137464807) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
PubChem CID137464807
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H18N2O3/c26-22-19-11-4-5-12-21(19)24-14-20(22)23(27)25-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,26)(H,25,27)
InChIKeyXANNBAUPAKDOLB-UHFFFAOYSA-N
XLogP4.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
1-oxo-N-[3-(pyridin-3-ylmethoxy)phenyl]-2H-isoquinoline-4-carboxamide
CID 119044409
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
4-oxo-N-[5-phenylmethoxy-4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53246296
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide
CID 55962037
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide (CID 137464807) is 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide is O=C(Nc1cccc(OCc2ccccc2)c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide?
The InChIKey is XANNBAUPAKDOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-22-19-11-4-5-12-21(19)24-14-20(22)23(27)25-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,26)(H,25,27).
What are the key properties of 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 137464807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).