6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

C28H25FN4O3 — CID 50784025

IUPAC6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccc(F)cc5)ccc4n3)CC2)c1
InChIInChI=1S/C28H25FN4O3/c1-18-3-2-4-22(15-18)32-11-13-33(14-12-32)26-17-24(28(35)36)23-16-21(9-10-25(23)31-26)30-27(34)19-5-7-20(29)8-6-19/h2-10,15-17H,11-14H2,1H3,(H,30,34)(H,35,36)
InChIKeyFPWSNTNXCLIMQS-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.96
Rot. Bonds5

About 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid (PubChem CID 50784025) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
PubChem CID50784025
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccc(F)cc5)ccc4n3)CC2)c1
InChIInChI=1S/C28H25FN4O3/c1-18-3-2-4-22(15-18)32-11-13-33(14-12-32)26-17-24(28(35)36)23-16-21(9-10-25(23)31-26)30-27(34)19-5-7-20(29)8-6-19/h2-10,15-17H,11-14H2,1H3,(H,30,34)(H,35,36)
InChIKeyFPWSNTNXCLIMQS-UHFFFAOYSA-N
XLogP4.96
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-[(4-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46326933
6-[(2-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146058146
6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783996
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(4-fluorobenzoyl)amino]quinoline-4-carboxylic acid
CID 50784045
6-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146058152
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057125
6-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 46326914
6-[(3-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50784104
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methylpropanoylamino)quinoline-4-carboxylic acid;trihydrochloride
CID 146058155
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid (CID 50784025) is 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid is Cc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccc(F)cc5)ccc4n3)CC2)c1.
What is the InChIKey of 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is FPWSNTNXCLIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-18-3-2-4-22(15-18)32-11-13-33(14-12-32)26-17-24(28(35)36)23-16-21(9-10-25(23)31-26)30-27(34)19-5-7-20(29)8-6-19/h2-10,15-17H,11-14H2,1H3,(H,30,34)(H,35,36).
What are the key properties of 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 484.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 50784025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).