5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid

C18H20N2O4 — CID 122119684

IUPAC5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H20N2O4/c1-10-7-12(18(23)24)9-20(8-10)17(22)15-11(2)13-5-3-4-6-14(13)19-16(15)21/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyIJZLXQOXYYRSGI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.02
Rot. Bonds2

About 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122119684) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID122119684
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H20N2O4/c1-10-7-12(18(23)24)9-20(8-10)17(22)15-11(2)13-5-3-4-6-14(13)19-16(15)21/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyIJZLXQOXYYRSGI-UHFFFAOYSA-N
XLogP2.02
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 119560721
5-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119148
4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119539340
1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117522
3-methyl-4-(pyrrolidine-1-carbonyl)-1H-quinolin-2-one
CID 131849523
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid (CID 122119684) is 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid is Cc1c(C(=O)N2CC(C)CC(C(=O)O)C2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IJZLXQOXYYRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10-7-12(18(23)24)9-20(8-10)17(22)15-11(2)13-5-3-4-6-14(13)19-16(15)21/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122119684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).