2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid

C19H15FN2O6 — CID 143220012

IUPAC2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ccc(F)cc2n1C(=O)O
InChIInChI=1S/C19H15FN2O6/c1-2-28-18(25)21-14-8-11(23)4-6-12(14)16-9-17(24)13-5-3-10(20)7-15(13)22(16)19(26)27/h3-9,23H,2H2,1H3,(H,21,25)(H,26,27)
InChIKeyOKSPMLAMECFJAO-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.61
Rot. Bonds3

About 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid

2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid (PubChem CID 143220012) has the molecular formula C19H15FN2O6 and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid
PubChem CID143220012
Molecular FormulaC19H15FN2O6
Molecular Weight386.34 g/mol
Exact Mass386.09
IUPAC Name2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ccc(F)cc2n1C(=O)O
InChIInChI=1S/C19H15FN2O6/c1-2-28-18(25)21-14-8-11(23)4-6-12(14)16-9-17(24)13-5-3-10(20)7-15(13)22(16)19(26)27/h3-9,23H,2H2,1H3,(H,21,25)(H,26,27)
InChIKeyOKSPMLAMECFJAO-UHFFFAOYSA-N
XLogP3.61
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Avenanthramide G
CID 12003326
Dihydroavenanthramide D
CID 10334118
2-(4-Hydroxy-phenyl)-1h-quinolin-4-one
CID 11630056
7-Hydroxy-2-phenyl-1H-quinolin-4-one
CID 5466887
2-[[2-[(2-Fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid
CID 54762188
2-[[2-[(2-Fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid
CID 54762183
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-benzoyl-4-hydroxyanthranilic acid
CID 158899
3-[(3-Hydroxyphenyl)amino]-1-phenyl-2-buten-1-one
CID 5310695
N-Benzoyl-4-hydroxyanthranilate
CID 54725755
Cambridge id 6871904
CID 798815
2-(3-fluorophenyl)-5-hydroxy-1H-quinolin-4-one
CID 11379825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid?
The IUPAC name of 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid (CID 143220012) is 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid.
What is the SMILES notation for 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid?
The canonical SMILES for 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid is CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ccc(F)cc2n1C(=O)O.
What is the InChIKey of 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid?
The InChIKey is OKSPMLAMECFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O6/c1-2-28-18(25)21-14-8-11(23)4-6-12(14)16-9-17(24)13-5-3-10(20)7-15(13)22(16)19(26)27/h3-9,23H,2H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid?
2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid has a molecular weight of 386.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid is sourced from PubChem (CID 143220012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).