6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid

C27H23FN4O3 — CID 50783943

IUPAC6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESO=C(Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)O)c2c1)c1ccc(F)cc1
InChIInChI=1S/C27H23FN4O3/c28-19-8-6-18(7-9-19)26(33)29-20-10-11-24-22(16-20)23(27(34)35)17-25(30-24)32-14-12-31(13-15-32)21-4-2-1-3-5-21/h1-11,16-17H,12-15H2,(H,29,33)(H,34,35)
InChIKeySQNDFHVQMAOONV-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.65
Rot. Bonds5

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

6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 50783943) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID50783943
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESO=C(Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)O)c2c1)c1ccc(F)cc1
InChIInChI=1S/C27H23FN4O3/c28-19-8-6-18(7-9-19)26(33)29-20-10-11-24-22(16-20)23(27(34)35)17-25(30-24)32-14-12-31(13-15-32)21-4-2-1-3-5-21/h1-11,16-17H,12-15H2,(H,29,33)(H,34,35)
InChIKeySQNDFHVQMAOONV-UHFFFAOYSA-N
XLogP4.65
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
2-{2-[(1s,2s)-2-{[1-(8-Methylquinolin-2-Yl)piperidine-4-Carbonyl]amino}cyclopentyl]ethyl}benzoic Acid
CID 124219480
2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 15987876
3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 44522096
5-[2-(Dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942338
5-(3-Fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
6-Anilinophenanthridine-3-carboxylic acid
CID 50942726
5-[2-(3-Fluorophenyl)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57664056
1-[4-(Benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxylic acid
CID 73052401
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-2-fluorobenzamide
CID 9550694
Sodium 6-fluoro-3-methyl-2-(3-phenylanilino)quinoline-4-carboxylate
CID 44293959

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 50783943) is 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid is O=C(Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)O)c2c1)c1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is SQNDFHVQMAOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c28-19-8-6-18(7-9-19)26(33)29-20-10-11-24-22(16-20)23(27(34)35)17-25(30-24)32-14-12-31(13-15-32)21-4-2-1-3-5-21/h1-11,16-17H,12-15H2,(H,29,33)(H,34,35).
What are the key properties of 6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid?
6-[(4-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 470.50 g/mol, XLogP of 4.65, 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-phenylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 50783943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).