5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one

C15H12N2O2 — CID 45271771

IUPAC5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESCc1ccc(-c2nc3cccc(C)c3c(=O)o2)cn1
InChIInChI=1S/C15H12N2O2/c1-9-4-3-5-12-13(9)15(18)19-14(17-12)11-7-6-10(2)16-8-11/h3-8H,1-2H3
InChIKeyMGCVBKOGZCUDCG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.87
Rot. Bonds1

About 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one

5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one (PubChem CID 45271771) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one
PubChem CID45271771
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESCc1ccc(-c2nc3cccc(C)c3c(=O)o2)cn1
InChIInChI=1S/C15H12N2O2/c1-9-4-3-5-12-13(9)15(18)19-14(17-12)11-7-6-10(2)16-8-11/h3-8H,1-2H3
InChIKeyMGCVBKOGZCUDCG-UHFFFAOYSA-N
XLogP2.87
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one (CID 45271771) is 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one is Cc1ccc(-c2nc3cccc(C)c3c(=O)o2)cn1.
What is the InChIKey of 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one?
The InChIKey is MGCVBKOGZCUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-4-3-5-12-13(9)15(18)19-14(17-12)11-7-6-10(2)16-8-11/h3-8H,1-2H3.
What are the key properties of 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one?
5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyl-3-pyridinyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 45271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).