6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one

C30H24N2O5 — CID 68597941

IUPAC6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(O)c(C3(O)C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C30H24N2O5/c1-31-24-16-22(25(33)17-26(24)37-18-27(31)34)30(36)21-14-8-9-15-23(21)32(29(30)35)28(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,28,33,36H,18H2,1H3
InChIKeyAFHFURRXIGAWPA-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.12
Rot. Bonds4

About 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one

6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one (PubChem CID 68597941) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
PubChem CID68597941
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(O)c(C3(O)C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C30H24N2O5/c1-31-24-16-22(25(33)17-26(24)37-18-27(31)34)30(36)21-14-8-9-15-23(21)32(29(30)35)28(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,28,33,36H,18H2,1H3
InChIKeyAFHFURRXIGAWPA-UHFFFAOYSA-N
XLogP4.12
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-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

Related Compounds

7-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597759
1-benzhydryl-3-hydroxy-3-(6-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl)indol-2-one
CID 12004274
7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 174706687
6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 141474202
1-benzhydryl-3-hydroxy-3-[2-hydroxy-4-(trifluoromethoxy)phenyl]indol-2-one
CID 12004334
(3S)-1-benzhydryl-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(hydroxymethyl)indol-2-one
CID 86699464
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
CID 46195281
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-pentylindol-2-one
CID 12004407
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanoic acid
CID 82496514
3-hydroxy-3-(7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 68597542
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one (CID 68597941) is 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(O)c(C3(O)C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc43)cc21.
What is the InChIKey of 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is AFHFURRXIGAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-31-24-16-22(25(33)17-26(24)37-18-27(31)34)30(36)21-14-8-9-15-23(21)32(29(30)35)28(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,28,33,36H,18H2,1H3.
What are the key properties of 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one?
6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 492.53 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 68597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).