1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

C15H17N3O3 — CID 122048390

IUPAC1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc2nc(N3CCC(C(=O)O)C3)c(C)nc2c1
InChIInChI=1S/C15H17N3O3/c1-9-14(18-6-5-10(8-18)15(19)20)17-12-4-3-11(21-2)7-13(12)16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyZFGGIQSYHRKSLM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds3

About 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122048390) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID122048390
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc2nc(N3CCC(C(=O)O)C3)c(C)nc2c1
InChIInChI=1S/C15H17N3O3/c1-9-14(18-6-5-10(8-18)15(19)20)17-12-4-3-11(21-2)7-13(12)16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyZFGGIQSYHRKSLM-UHFFFAOYSA-N
XLogP1.86
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
2-(furan-2-yl)-4-(6-methoxy-3-methylquinoxalin-2-yl)morpholine
CID 138993403
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 137368071
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(7-methoxy-4-methylquinolin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691583
ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (CID 122048390) is 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is COc1ccc2nc(N3CCC(C(=O)O)C3)c(C)nc2c1.
What is the InChIKey of 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZFGGIQSYHRKSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-14(18-6-5-10(8-18)15(19)20)17-12-4-3-11(21-2)7-13(12)16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).