[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate

C19H15FN2O4 — CID 56959690

IUPAC[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
SMILESCC(=O)Oc1c(C(=O)Nc2ccccc2)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C19H15FN2O4/c1-11(23)26-17-14-10-12(20)8-9-15(14)22(2)19(25)16(17)18(24)21-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyPGWBBERFVKGOJZ-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.86
Rot. Bonds3

About [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate

[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate (PubChem CID 56959690) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate.

Molecular Properties

Compound Name[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
PubChem CID56959690
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
SMILESCC(=O)Oc1c(C(=O)Nc2ccccc2)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C19H15FN2O4/c1-11(23)26-17-14-10-12(20)8-9-15(14)22(2)19(25)16(17)18(24)21-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyPGWBBERFVKGOJZ-UHFFFAOYSA-N
XLogP2.86
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
5-bromo-2-[[5-bromo-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-N-phenylindole-3-carboxamide
CID 5328599
[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
CID 14793866
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
[4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]phenyl] 2,2-dimethylpropanoate
CID 54717945

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate?
The IUPAC name of [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate (CID 56959690) is [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate.
What is the SMILES notation for [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate?
The canonical SMILES for [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate is CC(=O)Oc1c(C(=O)Nc2ccccc2)c(=O)n(C)c2ccc(F)cc12.
What is the InChIKey of [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate?
The InChIKey is PGWBBERFVKGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-11(23)26-17-14-10-12(20)8-9-15(14)22(2)19(25)16(17)18(24)21-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24).
What are the key properties of [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate?
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate has a molecular weight of 354.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate is sourced from PubChem (CID 56959690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).