4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid

C16H18N2O3 — CID 71734321

IUPAC4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCNCC2)c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-14(12)18(10-13(15)16(20)21)9-11-5-7-17-8-6-11/h1-4,10-11,17H,5-9H2,(H,20,21)
InChIKeySWGHBQCCCFTQNC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds3

About 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid

4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 71734321) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
PubChem CID71734321
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCNCC2)c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-14(12)18(10-13(15)16(20)21)9-11-5-7-17-8-6-11/h1-4,10-11,17H,5-9H2,(H,20,21)
InChIKeySWGHBQCCCFTQNC-UHFFFAOYSA-N
XLogP1.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 115114607
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid (CID 71734321) is 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid is O=C(O)c1cn(CC2CCNCC2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is SWGHBQCCCFTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-14(12)18(10-13(15)16(20)21)9-11-5-7-17-8-6-11/h1-4,10-11,17H,5-9H2,(H,20,21).
What are the key properties of 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid?
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 71734321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).