1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C16H12F3N3O — CID 51142128

IUPAC1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1nc2ccccc2nc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H12F3N3O/c1-10-14(21-13-5-3-2-4-12(13)20-10)9-22-8-11(16(17,18)19)6-7-15(22)23/h2-8H,9H2,1H3
InChIKeyBUGUWTZGPNNTIK-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.17
Rot. Bonds2

About 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 51142128) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID51142128
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1nc2ccccc2nc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H12F3N3O/c1-10-14(21-13-5-3-2-4-12(13)20-10)9-22-8-11(16(17,18)19)6-7-15(22)23/h2-8H,9H2,1H3
InChIKeyBUGUWTZGPNNTIK-UHFFFAOYSA-N
XLogP3.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 51142128) is 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is Cc1nc2ccccc2nc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BUGUWTZGPNNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-10-14(21-13-5-3-2-4-12(13)20-10)9-22-8-11(16(17,18)19)6-7-15(22)23/h2-8H,9H2,1H3.
What are the key properties of 1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 319.29 g/mol, XLogP of 3.17, 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]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 51142128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).