6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

C15H16FN3O2 — CID 53016826

IUPAC6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3O2/c1-18-4-6-19(7-5-18)14-9-12(15(20)21)11-8-10(16)2-3-13(11)17-14/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyHZUMJDMFLSEZFH-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.82
Rot. Bonds2

About 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 53016826) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID53016826
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3O2/c1-18-4-6-19(7-5-18)14-9-12(15(20)21)11-8-10(16)2-3-13(11)17-14/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyHZUMJDMFLSEZFH-UHFFFAOYSA-N
XLogP1.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46298278
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
6-[(3-chlorobenzoyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 50783032
6-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146057021
6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784025
2-(4-methyl-1,4-diazepan-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50783033
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057086
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(4-fluorobenzoyl)amino]quinoline-4-carboxylic acid
CID 50784045
3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]prop-2-enoic acid
CID 150280289

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 53016826) is 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid is CN1CCN(c2cc(C(=O)O)c3cc(F)ccc3n2)CC1.
What is the InChIKey of 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is HZUMJDMFLSEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-18-4-6-19(7-5-18)14-9-12(15(20)21)11-8-10(16)2-3-13(11)17-14/h2-3,8-9H,4-7H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 53016826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).