1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one

C15H13N3O — CID 39967034

IUPAC1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
SMILESCc1nc2ccccc2nc1Cn1ccccc1=O
InChIInChI=1S/C15H13N3O/c1-11-14(10-18-9-5-4-8-15(18)19)17-13-7-3-2-6-12(13)16-11/h2-9H,10H2,1H3
InChIKeyBLULVMRVOKAPND-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.15
Rot. Bonds2

About 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one

1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one (PubChem CID 39967034) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
PubChem CID39967034
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
SMILESCc1nc2ccccc2nc1Cn1ccccc1=O
InChIInChI=1S/C15H13N3O/c1-11-14(10-18-9-5-4-8-15(18)19)17-13-7-3-2-6-12(13)16-11/h2-9H,10H2,1H3
InChIKeyBLULVMRVOKAPND-UHFFFAOYSA-N
XLogP2.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one (CID 39967034) is 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one is Cc1nc2ccccc2nc1Cn1ccccc1=O.
What is the InChIKey of 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one?
The InChIKey is BLULVMRVOKAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-14(10-18-9-5-4-8-15(18)19)17-13-7-3-2-6-12(13)16-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one?
1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 39967034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).