6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one

C30H24N2O5 — CID 141474202

IUPAC6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(C3(O)C(=O)N(Cc4ccccc4-c4ccccc4)c4ccccc43)c(O)cc21
InChIInChI=1S/C30H24N2O5/c1-31-25-16-26(33)23(15-27(25)37-18-28(31)34)30(36)22-13-7-8-14-24(22)32(29(30)35)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16,33,36H,17-18H2,1H3
InChIKeyQSHBRPMHGYPBQW-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.20
Rot. Bonds4

About 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one

6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 141474202) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID141474202
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(C3(O)C(=O)N(Cc4ccccc4-c4ccccc4)c4ccccc43)c(O)cc21
InChIInChI=1S/C30H24N2O5/c1-31-25-16-26(33)23(15-27(25)37-18-28(31)34)30(36)22-13-7-8-14-24(22)32(29(30)35)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16,33,36H,17-18H2,1H3
InChIKeyQSHBRPMHGYPBQW-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 174706687
7-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597759
6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597941
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
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 67357306
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-pentylindol-2-one
CID 12004407
3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 58872481
3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 12004190
1-(3-butoxypropyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)indol-2-one
CID 71195175
1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
CID 141304927
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 123841269

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one (CID 141474202) is 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(C3(O)C(=O)N(Cc4ccccc4-c4ccccc4)c4ccccc43)c(O)cc21.
What is the InChIKey of 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is QSHBRPMHGYPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-31-25-16-26(33)23(15-27(25)37-18-28(31)34)30(36)22-13-7-8-14-24(22)32(29(30)35)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16,33,36H,17-18H2,1H3.
What are the key properties of 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 492.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 141474202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).