2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid

C14H14FNO5 — CID 66588752

IUPAC2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CC(=O)c2c(C(=O)OC)ccc(F)c2N1
InChIInChI=1S/C14H14FNO5/c1-3-14(13(19)20)6-9(17)10-7(12(18)21-2)4-5-8(15)11(10)16-14/h4-5,16H,3,6H2,1-2H3,(H,19,20)
InChIKeyXQEYUPXKVCMGQC-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.84
Rot. Bonds3

About 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid

2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid (PubChem CID 66588752) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid
PubChem CID66588752
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CC(=O)c2c(C(=O)OC)ccc(F)c2N1
InChIInChI=1S/C14H14FNO5/c1-3-14(13(19)20)6-9(17)10-7(12(18)21-2)4-5-8(15)11(10)16-14/h4-5,16H,3,6H2,1-2H3,(H,19,20)
InChIKeyXQEYUPXKVCMGQC-UHFFFAOYSA-N
XLogP1.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
CID 68501471
methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
CID 170918020
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-4-carboxylate
CID 17229006
methyl 3,3-dimethyl-2-oxo-4H-1,4-benzothiazine-5-carboxylate
CID 115095853
methyl 2-amino-3,4-difluorobenzoate
CID 22621156
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
CID 127243793
ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
CID 135338938
methyl 2-fluoro-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate
CID 171373886
methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 130131955
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
CID 58959693

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid?
The IUPAC name of 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid (CID 66588752) is 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid?
The canonical SMILES for 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid is CCC1(C(=O)O)CC(=O)c2c(C(=O)OC)ccc(F)c2N1.
What is the InChIKey of 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid?
The InChIKey is XQEYUPXKVCMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-3-14(13(19)20)6-9(17)10-7(12(18)21-2)4-5-8(15)11(10)16-14/h4-5,16H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid?
2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid is sourced from PubChem (CID 66588752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).