4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid

C16H18N2O2 — CID 63721046

IUPAC4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CC(C)C(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-7,10,13H,8-9H2,1-2H3,(H,19,20)
InChIKeyGCTOSLPNPCBYAU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.70
Rot. Bonds2

About 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63721046) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID63721046
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CC(C)C(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-7,10,13H,8-9H2,1-2H3,(H,19,20)
InChIKeyGCTOSLPNPCBYAU-UHFFFAOYSA-N
XLogP2.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555
(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155916368
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
CID 110434121

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid (CID 63721046) is 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid is Cc1cc(N2CC(C)C(C(=O)O)C2)c2ccccc2n1.
What is the InChIKey of 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GCTOSLPNPCBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-7,10,13H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).