ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate

C19H15FN2O4 — CID 110426635

IUPACethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H15FN2O4/c1-2-26-19(25)11-4-7-14(8-5-11)21-17(23)15-9-12-3-6-13(20)10-16(12)22-18(15)24/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyYCWPQQGRPIQBQH-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.10
Rot. Bonds4

About ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate

ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate (PubChem CID 110426635) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
PubChem CID110426635
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Nameethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H15FN2O4/c1-2-26-19(25)11-4-7-14(8-5-11)21-17(23)15-9-12-3-6-13(20)10-16(12)22-18(15)24/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyYCWPQQGRPIQBQH-UHFFFAOYSA-N
XLogP3.10
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426665
7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110607516
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110427041
ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[[(Z)-2-cyano-3-(4-fluoroanilino)prop-2-enoyl]amino]benzoate
CID 108823977
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate (CID 110426635) is ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1.
What is the InChIKey of ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The InChIKey is YCWPQQGRPIQBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-2-26-19(25)11-4-7-14(8-5-11)21-17(23)15-9-12-3-6-13(20)10-16(12)22-18(15)24/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate has a molecular weight of 354.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).