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

C17H20N2O2 — CID 122048463

IUPAC1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1c(C)nc2ccccc2c1N1CCC(C(=O)O)C1
InChIInChI=1S/C17H20N2O2/c1-3-13-11(2)18-15-7-5-4-6-14(15)16(13)19-9-8-12(10-19)17(20)21/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)
InChIKeyIAWKTZWUZPXUHX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds3

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

1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122048463) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID122048463
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1c(C)nc2ccccc2c1N1CCC(C(=O)O)C1
InChIInChI=1S/C17H20N2O2/c1-3-13-11(2)18-15-7-5-4-6-14(15)16(13)19-9-8-12(10-19)17(20)21/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)
InChIKeyIAWKTZWUZPXUHX-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
4-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133438789
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133499647
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456
3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
CID 133437612
3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
CID 138042690
1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048384
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid (CID 122048463) is 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid is CCc1c(C)nc2ccccc2c1N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IAWKTZWUZPXUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-13-11(2)18-15-7-5-4-6-14(15)16(13)19-9-8-12(10-19)17(20)21/h4-7,12H,3,8-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).