1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid

C13H10FNO3 — CID 82244422

IUPAC1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(F)c2n1C1CC1
InChIInChI=1S/C13H10FNO3/c14-9-3-1-2-8-11(16)6-10(13(17)18)15(12(8)9)7-4-5-7/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyTYYFMRAGSCJVPM-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid

1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid (PubChem CID 82244422) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
PubChem CID82244422
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(F)c2n1C1CC1
InChIInChI=1S/C13H10FNO3/c14-9-3-1-2-8-11(16)6-10(13(17)18)15(12(8)9)7-4-5-7/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyTYYFMRAGSCJVPM-UHFFFAOYSA-N
XLogP2.17
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82246114
8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-2-carboxylic acid
CID 54337576
1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid
CID 82239950
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid
CID 154707108
3-(1-cyclopropyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82250422
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120
6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid
CID 19090505
3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 71153777

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid (CID 82244422) is 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cccc(F)c2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The InChIKey is TYYFMRAGSCJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-9-3-1-2-8-11(16)6-10(13(17)18)15(12(8)9)7-4-5-7/h1-3,6-7H,4-5H2,(H,17,18).
What are the key properties of 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid has a molecular weight of 247.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82244422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).