1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid

C20H23N3O3 — CID 167804237

IUPAC1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1nc2ccc(C(=O)N3CCC(C(=O)O)C4CCCC43)cc2nc1C
InChIInChI=1S/C20H23N3O3/c1-11-12(2)22-17-10-13(6-7-16(17)21-11)19(24)23-9-8-15(20(25)26)14-4-3-5-18(14)23/h6-7,10,14-15,18H,3-5,8-9H2,1-2H3,(H,25,26)
InChIKeyQVVVFZQIPDQVOK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.96
Rot. Bonds2

About 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid

1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 167804237) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
PubChem CID167804237
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1nc2ccc(C(=O)N3CCC(C(=O)O)C4CCCC43)cc2nc1C
InChIInChI=1S/C20H23N3O3/c1-11-12(2)22-17-10-13(6-7-16(17)21-11)19(24)23-9-8-15(20(25)26)14-4-3-5-18(14)23/h6-7,10,14-15,18H,3-5,8-9H2,1-2H3,(H,25,26)
InChIKeyQVVVFZQIPDQVOK-UHFFFAOYSA-N
XLogP2.96
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
[(2S)-1-(2,3-dimethylquinoxaline-6-carbonyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305814
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167740733
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60945512
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid (CID 167804237) is 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid is Cc1nc2ccc(C(=O)N3CCC(C(=O)O)C4CCCC43)cc2nc1C.
What is the InChIKey of 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is QVVVFZQIPDQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-11-12(2)22-17-10-13(6-7-16(17)21-11)19(24)23-9-8-15(20(25)26)14-4-3-5-18(14)23/h6-7,10,14-15,18H,3-5,8-9H2,1-2H3,(H,25,26).
What are the key properties of 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 167804237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).