5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one

C24H16N2O4 — CID 19030309

IUPAC5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5c(=O)o4)cc3)oc(=O)c12
InChIInChI=1S/C24H16N2O4/c1-13-5-3-7-17-19(13)23(27)29-21(25-17)15-9-11-16(12-10-15)22-26-18-8-4-6-14(2)20(18)24(28)30-22/h3-12H,1-2H3
InChIKeyQMLKYDPDWIMYPV-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.64
Rot. Bonds2

About 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one

5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one (PubChem CID 19030309) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
PubChem CID19030309
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5c(=O)o4)cc3)oc(=O)c12
InChIInChI=1S/C24H16N2O4/c1-13-5-3-7-17-19(13)23(27)29-21(25-17)15-9-11-16(12-10-15)22-26-18-8-4-6-14(2)20(18)24(28)30-22/h3-12H,1-2H3
InChIKeyQMLKYDPDWIMYPV-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 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one (CID 19030309) is 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5c(=O)o4)cc3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
The InChIKey is QMLKYDPDWIMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-13-5-3-7-17-19(13)23(27)29-21(25-17)15-9-11-16(12-10-15)22-26-18-8-4-6-14(2)20(18)24(28)30-22/h3-12H,1-2H3.
What are the key properties of 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one?
5-methyl-2-[4-(5-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 5-methyl-2-[4-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 19030309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).