1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid

C17H18N2O3 — CID 24698090

IUPAC1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(20)19-8-6-12(7-9-19)17(21)22/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyWJRRCXXLHMCBJJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid

1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 24698090) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID24698090
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(20)19-8-6-12(7-9-19)17(21)22/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyWJRRCXXLHMCBJJ-UHFFFAOYSA-N
XLogP2.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid (CID 24698090) is 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WJRRCXXLHMCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-10-14(13-4-2-3-5-15(13)18-11)16(20)19-8-6-12(7-9-19)17(21)22/h2-5,10,12H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid?
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 24698090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).