2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one

C15H14N2O2 — CID 655824

IUPAC2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccccc2N(Cc2cccnc2)C1=O
InChIInChI=1S/C15H14N2O2/c1-11-15(18)17(10-12-5-4-8-16-9-12)13-6-2-3-7-14(13)19-11/h2-9,11H,10H2,1H3
InChIKeyIMBKYHRLNPVUQN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one

2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 655824) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID655824
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccccc2N(Cc2cccnc2)C1=O
InChIInChI=1S/C15H14N2O2/c1-11-15(18)17(10-12-5-4-8-16-9-12)13-6-2-3-7-14(13)19-11/h2-9,11H,10H2,1H3
InChIKeyIMBKYHRLNPVUQN-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-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 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one (CID 655824) is 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one is CC1Oc2ccccc2N(Cc2cccnc2)C1=O.
What is the InChIKey of 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is IMBKYHRLNPVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-15(18)17(10-12-5-4-8-16-9-12)13-6-2-3-7-14(13)19-11/h2-9,11H,10H2,1H3.
What are the key properties of 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one?
2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 655824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).