4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one

C24H20N2O3 — CID 102468949

IUPAC4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(C1C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)CO2
InChIInChI=1S/C24H20N2O3/c1-16-11-12-21-20(13-16)26(22(27)15-29-21)23-18-9-5-6-10-19(18)25(24(23)28)14-17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3
InChIKeyIBTMYESYTFUINZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.01
Rot. Bonds3

About 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one

4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one (PubChem CID 102468949) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one
PubChem CID102468949
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(C1C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)CO2
InChIInChI=1S/C24H20N2O3/c1-16-11-12-21-20(13-16)26(22(27)15-29-21)23-18-9-5-6-10-19(18)25(24(23)28)14-17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3
InChIKeyIBTMYESYTFUINZ-UHFFFAOYSA-N
XLogP4.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-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 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one (CID 102468949) is 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(C1C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)CO2.
What is the InChIKey of 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one?
The InChIKey is IBTMYESYTFUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-11-12-21-20(13-16)26(22(27)15-29-21)23-18-9-5-6-10-19(18)25(24(23)28)14-17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3.
What are the key properties of 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one?
4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2-oxo-3H-indol-3-yl)-6-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 102468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).