3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol

C14H17N3O — CID 113341930

IUPAC3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
SMILESCc1nc2ccccc2nc1N1CCC(C)(O)C1
InChIInChI=1S/C14H17N3O/c1-10-13(17-8-7-14(2,18)9-17)16-12-6-4-3-5-11(12)15-10/h3-6,18H,7-9H2,1-2H3
InChIKeyYLNCBYKEQOFYFY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds1

About 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol

3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol (PubChem CID 113341930) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
PubChem CID113341930
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
SMILESCc1nc2ccccc2nc1N1CCC(C)(O)C1
InChIInChI=1S/C14H17N3O/c1-10-13(17-8-7-14(2,18)9-17)16-12-6-4-3-5-11(12)15-10/h3-6,18H,7-9H2,1-2H3
InChIKeyYLNCBYKEQOFYFY-UHFFFAOYSA-N
XLogP1.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,4-benzotriazin-3-yl)-3-methylpyrrolidin-3-ol
CID 103357731
4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
CID 107162205
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103356288
9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
1-(3-hydroxy-3-methylpyrrolidin-1-yl)isoquinoline-4-carboxylic acid
CID 106767710
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol (CID 113341930) is 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol is Cc1nc2ccccc2nc1N1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol?
The InChIKey is YLNCBYKEQOFYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(17-8-7-14(2,18)9-17)16-12-6-4-3-5-11(12)15-10/h3-6,18H,7-9H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol?
3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 113341930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).