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

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Related Compounds

4-benzyl-6-bromo-1,4-benzoxazin-3-one
CID 68733662
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-benzyl-6-ethylsulfonyl-1,4-benzoxazin-3-one
CID 95917189
4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4573712
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
1,3-dibenzyl-3-deuterio-5-methylindol-2-one
CID 10980376
propan-2-yl 4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411118
N-(1-benzylpiperidin-4-yl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42788025
(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-1,4-benzoxazin-3-one
CID 1431627
4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
CID 82142296
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 5055436
1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
CID 91934419

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).