1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid

C20H22FN3O4 — CID 13340181

IUPAC1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
InChIInChI=1S/C20H22FN3O4/c1-2-18(25)23-7-5-22(6-8-23)17-10-16-13(9-15(17)21)19(26)14(20(27)28)11-24(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,27,28)
InChIKeyINFGMYYEVWVBQF-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.23
Rot. Bonds4

About 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid (PubChem CID 13340181) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid
PubChem CID13340181
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
InChIInChI=1S/C20H22FN3O4/c1-2-18(25)23-7-5-22(6-8-23)17-10-16-13(9-15(17)21)19(26)14(20(27)28)11-24(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,27,28)
InChIKeyINFGMYYEVWVBQF-UHFFFAOYSA-N
XLogP2.23
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-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-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid (CID 13340181) is 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid is CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is INFGMYYEVWVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-2-18(25)23-7-5-22(6-8-23)17-10-16-13(9-15(17)21)19(26)14(20(27)28)11-24(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,27,28).
What are the key properties of 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 13340181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).