6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid

C25H24ClN3O5 — CID 46326846

IUPAC6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2cc(C(=O)O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1
InChIInChI=1S/C25H24ClN3O5/c1-2-34-25(33)16-4-3-11-29(14-16)22-13-20(24(31)32)19-12-18(9-10-21(19)28-22)27-23(30)15-5-7-17(26)8-6-15/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,27,30)(H,31,32)
InChIKeyUBDPKVOJUMGVJR-UHFFFAOYSA-N
MW481.94 g/mol
LogP4.62
Rot. Bonds6

About 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid

6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 46326846) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
PubChem CID46326846
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC Name6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2cc(C(=O)O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1
InChIInChI=1S/C25H24ClN3O5/c1-2-34-25(33)16-4-3-11-29(14-16)22-13-20(24(31)32)19-12-18(9-10-21(19)28-22)27-23(30)15-5-7-17(26)8-6-15/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,27,30)(H,31,32)
InChIKeyUBDPKVOJUMGVJR-UHFFFAOYSA-N
XLogP4.62
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid with MolForge

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Related Compounds

2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-methylbenzoyl)amino]benzoic acid
CID 94083629
3-[(4-chlorobenzoyl)amino]-4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 95064002
6-[(3-chlorobenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]quinoline-4-carboxylic acid
CID 92870043
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094003
5-acetamido-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 94083645
6-[(4-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46326941
5-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054136
5-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054137
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(cyclopentanecarbonylamino)quinoline-4-carboxylic acid
CID 46327054
6-[(3-chlorobenzoyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 50783032
6-[(3-chlorobenzoyl)amino]-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]quinoline-4-carboxylic acid
CID 92870024

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid (CID 46326846) is 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid is CCOC(=O)C1CCCN(c2cc(C(=O)O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1.
What is the InChIKey of 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is UBDPKVOJUMGVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-2-34-25(33)16-4-3-11-29(14-16)22-13-20(24(31)32)19-12-18(9-10-21(19)28-22)27-23(30)15-5-7-17(26)8-6-15/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 481.94 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 46326846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).