2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid

C17H18N2O5 — CID 91147266

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid
SMILESCn1c(=O)cc(C2C(C(=O)O)CCCN2C(=O)O)c2ccccc21
InChIInChI=1S/C17H18N2O5/c1-18-13-7-3-2-5-10(13)12(9-14(18)20)15-11(16(21)22)6-4-8-19(15)17(23)24/h2-3,5,7,9,11,15H,4,6,8H2,1H3,(H,21,22)(H,23,24)
InChIKeyZMYBDYFJZRCNNT-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.05
Rot. Bonds2

About 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid

2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid (PubChem CID 91147266) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid
PubChem CID91147266
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid
SMILESCn1c(=O)cc(C2C(C(=O)O)CCCN2C(=O)O)c2ccccc21
InChIInChI=1S/C17H18N2O5/c1-18-13-7-3-2-5-10(13)12(9-14(18)20)15-11(16(21)22)6-4-8-19(15)17(23)24/h2-3,5,7,9,11,15H,4,6,8H2,1H3,(H,21,22)(H,23,24)
InChIKeyZMYBDYFJZRCNNT-UHFFFAOYSA-N
XLogP2.05
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
(3R,4S)-4-(1-methyl-2-oxoquinolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67252898
(2R,3R)-2-methyl-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122115203
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
(2R,3R)-2-methyl-1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 122115197
1-(1-methyl-2-oxoquinoline-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119135760
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
(2R,3R)-2-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115003

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid (CID 91147266) is 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid is Cn1c(=O)cc(C2C(C(=O)O)CCCN2C(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid?
The InChIKey is ZMYBDYFJZRCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-18-13-7-3-2-5-10(13)12(9-14(18)20)15-11(16(21)22)6-4-8-19(15)17(23)24/h2-3,5,7,9,11,15H,4,6,8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid?
2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 91147266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).