4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide

C24H19FN2O3 — CID 16957143

IUPAC4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
SMILESCOc1cccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19FN2O3/c1-27-20-9-4-3-8-19(20)22(28)21(16-6-5-7-18(14-16)30-2)23(27)26-24(29)15-10-12-17(25)13-11-15/h3-14H,1-2H3,(H,26,29)
InChIKeyPENYCRVKZBZRIT-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.61
Rot. Bonds4

About 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide

4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide (PubChem CID 16957143) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
PubChem CID16957143
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
SMILESCOc1cccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19FN2O3/c1-27-20-9-4-3-8-19(20)22(28)21(16-6-5-7-18(14-16)30-2)23(27)26-24(29)15-10-12-17(25)13-11-15/h3-14H,1-2H3,(H,26,29)
InChIKeyPENYCRVKZBZRIT-UHFFFAOYSA-N
XLogP4.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
CID 16957144
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
CID 4903955
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
CID 4910543
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide (CID 16957143) is 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide is COc1cccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)c1.
What is the InChIKey of 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The InChIKey is PENYCRVKZBZRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-27-20-9-4-3-8-19(20)22(28)21(16-6-5-7-18(14-16)30-2)23(27)26-24(29)15-10-12-17(25)13-11-15/h3-14H,1-2H3,(H,26,29).
What are the key properties of 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide is sourced from PubChem (CID 16957143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).