6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one

C24H16N2O4 — CID 3098430

IUPAC6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5c(=O)o4)cc3)oc(=O)c2c1
InChIInChI=1S/C24H16N2O4/c1-13-3-9-19-17(11-13)23(27)29-21(25-19)15-5-7-16(8-6-15)22-26-20-10-4-14(2)12-18(20)24(28)30-22/h3-12H,1-2H3
InChIKeyXTVKWHWVODYHOO-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.64
Rot. Bonds2

About 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one

6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one (PubChem CID 3098430) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
PubChem CID3098430
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5c(=O)o4)cc3)oc(=O)c2c1
InChIInChI=1S/C24H16N2O4/c1-13-3-9-19-17(11-13)23(27)29-21(25-19)15-5-7-16(8-6-15)22-26-20-10-4-14(2)12-18(20)24(28)30-22/h3-12H,1-2H3
InChIKeyXTVKWHWVODYHOO-UHFFFAOYSA-N
XLogP4.64
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one (CID 3098430) is 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one is Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5c(=O)o4)cc3)oc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The InChIKey is XTVKWHWVODYHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-13-3-9-19-17(11-13)23(27)29-21(25-19)15-5-7-16(8-6-15)22-26-20-10-4-14(2)12-18(20)24(28)30-22/h3-12H,1-2H3.
What are the key properties of 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one has a molecular weight of 396.40 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 3098430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).