1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid

C16H18N2O3 — CID 82249897

IUPAC1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(N3CCCCC3)ccc21
InChIInChI=1S/C16H18N2O3/c1-17-10-13(16(20)21)15(19)12-9-11(5-6-14(12)17)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyDFJXXVUWEDUUPB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.23
Rot. Bonds2

About 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid

1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 82249897) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID82249897
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(N3CCCCC3)ccc21
InChIInChI=1S/C16H18N2O3/c1-17-10-13(16(20)21)15(19)12-9-11(5-6-14(12)17)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyDFJXXVUWEDUUPB-UHFFFAOYSA-N
XLogP2.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 141190200
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid (CID 82249897) is 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(N3CCCCC3)ccc21.
What is the InChIKey of 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is DFJXXVUWEDUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-10-13(16(20)21)15(19)12-9-11(5-6-14(12)17)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid?
1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 82249897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).