3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid

C17H20N2O2 — CID 63229377

IUPAC3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyRWGCGAFCINMZEH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds3

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

3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63229377) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID63229377
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyRWGCGAFCINMZEH-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
CID 133387250
4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
CID 63125876
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
3-ethyl-1-(1-oxo-2H-isoquinolin-3-yl)pyrrolidine-3-carboxylic acid
CID 63147110
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
CID 110644995
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid
CID 167912108

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid (CID 63229377) is 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nc3ccccc3cc2C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RWGCGAFCINMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-17(16(20)21)8-9-19(11-17)15-12(2)10-13-6-4-5-7-14(13)18-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63229377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).