1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid

C17H18FN3O3 — CID 23431652

IUPAC1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(N3CCNCC3)cc2n1C1CC1
InChIInChI=1S/C17H18FN3O3/c18-12-7-11-13(8-14(12)20-5-3-19-4-6-20)21(10-1-2-10)15(17(23)24)9-16(11)22/h7-10,19H,1-6H2,(H,23,24)
InChIKeyKLPZFWQLWAPUFP-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid (PubChem CID 23431652) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid
PubChem CID23431652
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(N3CCNCC3)cc2n1C1CC1
InChIInChI=1S/C17H18FN3O3/c18-12-7-11-13(8-14(12)20-5-3-19-4-6-20)21(10-1-2-10)15(17(23)24)9-16(11)22/h7-10,19H,1-6H2,(H,23,24)
InChIKeyKLPZFWQLWAPUFP-UHFFFAOYSA-N
XLogP1.58
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid (CID 23431652) is 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)c(N3CCNCC3)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid?
The InChIKey is KLPZFWQLWAPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-7-11-13(8-14(12)20-5-3-19-4-6-20)21(10-1-2-10)15(17(23)24)9-16(11)22/h7-10,19H,1-6H2,(H,23,24).
What are the key properties of 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid?
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid has a molecular weight of 331.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 23431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).