N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide

C19H16FN3O4 — CID 51053181

IUPACN-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C19H16FN3O4/c1-10(24)22-11-6-7-16(27-2)15(8-11)23-19(26)13-9-21-17-12(18(13)25)4-3-5-14(17)20/h3-9H,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyLQGQVURLCCIVOC-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.89
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 51053181) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID51053181
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C19H16FN3O4/c1-10(24)22-11-6-7-16(27-2)15(8-11)23-19(26)13-9-21-17-12(18(13)25)4-3-5-14(17)20/h3-9H,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyLQGQVURLCCIVOC-UHFFFAOYSA-N
XLogP2.89
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 51126405
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 127052440
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
8-fluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127048694
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 51108315

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 51053181) is N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LQGQVURLCCIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-10(24)22-11-6-7-16(27-2)15(8-11)23-19(26)13-9-21-17-12(18(13)25)4-3-5-14(17)20/h3-9H,1-2H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51053181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).