6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one

C15H14N2O2 — CID 82232598

IUPAC6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)cc2c1OC(c1ccccc1)C(=O)N2
InChIInChI=1S/C15H14N2O2/c1-9-7-11(16)8-12-13(9)19-14(15(18)17-12)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H,17,18)
InChIKeyIQTZTENJVWBTRT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.65
Rot. Bonds1

About 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one

6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one (PubChem CID 82232598) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one
PubChem CID82232598
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)cc2c1OC(c1ccccc1)C(=O)N2
InChIInChI=1S/C15H14N2O2/c1-9-7-11(16)8-12-13(9)19-14(15(18)17-12)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H,17,18)
InChIKeyIQTZTENJVWBTRT-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one (CID 82232598) is 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one is Cc1cc(N)cc2c1OC(c1ccccc1)C(=O)N2.
What is the InChIKey of 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The InChIKey is IQTZTENJVWBTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-7-11(16)8-12-13(9)19-14(15(18)17-12)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one?
6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82232598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).