7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid

C13H11ClFNO3 — CID 67700994

IUPAC7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(F)c(Cl)cc2N(C2CC2)C1=O
InChIInChI=1S/C13H11ClFNO3/c14-9-5-11-6(4-10(9)15)3-8(13(18)19)12(17)16(11)7-1-2-7/h4-5,7-8H,1-3H2,(H,18,19)
InChIKeyNPWYIXGYRCUTKQ-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.23
Rot. Bonds2

About 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid

7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid (PubChem CID 67700994) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
PubChem CID67700994
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(F)c(Cl)cc2N(C2CC2)C1=O
InChIInChI=1S/C13H11ClFNO3/c14-9-5-11-6(4-10(9)15)3-8(13(18)19)12(17)16(11)7-1-2-7/h4-5,7-8H,1-3H2,(H,18,19)
InChIKeyNPWYIXGYRCUTKQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid (CID 67700994) is 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid is O=C(O)C1Cc2cc(F)c(Cl)cc2N(C2CC2)C1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is NPWYIXGYRCUTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c14-9-5-11-6(4-10(9)15)3-8(13(18)19)12(17)16(11)7-1-2-7/h4-5,7-8H,1-3H2,(H,18,19).
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 283.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-2-oxo-3,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 67700994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).