6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid

C13H9ClFNO3 — CID 22277610

IUPAC6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(F)c(Cl)cc2c1=O
InChIInChI=1S/C13H9ClFNO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
InChIKeyFAIPGRCVZDBAJG-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.83
Rot. Bonds2

About 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid

6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 22277610) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID22277610
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(F)c(Cl)cc2c1=O
InChIInChI=1S/C13H9ClFNO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
InChIKeyFAIPGRCVZDBAJG-UHFFFAOYSA-N
XLogP2.83
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 154631856
6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
8-chloro-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700556
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 131667367
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
5-chloro-1-cyclopropyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 86732837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid (CID 22277610) is 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cc(F)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FAIPGRCVZDBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19).
What are the key properties of 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid?
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22277610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).