1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid

C16H17ClN2O2 — CID 122048384

IUPAC1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2c(Cl)cccc2c(N2CCC(C(=O)O)C2)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-10(2)18-14-12(4-3-5-13(14)17)15(9)19-7-6-11(8-19)16(20)21/h3-5,11H,6-8H2,1-2H3,(H,20,21)
InChIKeyISZYGXLNERILJC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds2

About 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid

1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122048384) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID122048384
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2c(Cl)cccc2c(N2CCC(C(=O)O)C2)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-10(2)18-14-12(4-3-5-13(14)17)15(9)19-7-6-11(8-19)16(20)21/h3-5,11H,6-8H2,1-2H3,(H,20,21)
InChIKeyISZYGXLNERILJC-UHFFFAOYSA-N
XLogP3.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217
1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
CID 70458572
1-(2-chloro-6-cyanophenyl)piperidine-3-carboxylic acid
CID 120964825
8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
1-(5-bromoisoquinolin-1-yl)pyrrolidine-3-carboxylic acid
CID 106536146
1-acetyl-9-chloro-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82625256
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid (CID 122048384) is 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid is Cc1nc2c(Cl)cccc2c(N2CCC(C(=O)O)C2)c1C.
What is the InChIKey of 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ISZYGXLNERILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-10(2)18-14-12(4-3-5-13(14)17)15(9)19-7-6-11(8-19)16(20)21/h3-5,11H,6-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid?
1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2,3-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).