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

C30H24N2O5 — CID 174706687

IUPAC7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(O)c(C3(O)C(=O)N(Cc4ccc(-c5ccccc5)cc4)c4ccccc43)cc21
InChIInChI=1S/C30H24N2O5/c1-31-25-15-23(26(33)16-27(25)37-18-28(31)34)30(36)22-9-5-6-10-24(22)32(29(30)35)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-16,33,36H,17-18H2,1H3
InChIKeyYOLJZODIHZIHJT-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.20
Rot. Bonds4

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

7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 174706687) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID174706687
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(O)c(C3(O)C(=O)N(Cc4ccc(-c5ccccc5)cc4)c4ccccc43)cc21
InChIInChI=1S/C30H24N2O5/c1-31-25-15-23(26(33)16-27(25)37-18-28(31)34)30(36)22-9-5-6-10-24(22)32(29(30)35)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-16,33,36H,17-18H2,1H3
InChIKeyYOLJZODIHZIHJT-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 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-hydroxy-7-[3-hydroxy-2-oxo-1-[(2-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 141474202
6-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597941
7-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597759
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-(1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-3-hydroxy-5-phenylindol-2-one
CID 12004244
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-pentylindol-2-one
CID 12004407
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 67357306
7-[4-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994811
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
4-[(4-chlorophenyl)methyl]-6-[6-(4-chlorophenyl)-4-phenyl-2-pyridinyl]-1,4-benzoxazin-3-one
CID 44724578
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148
7-[3-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994810

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one (CID 174706687) is 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(O)c(C3(O)C(=O)N(Cc4ccc(-c5ccccc5)cc4)c4ccccc43)cc21.
What is the InChIKey of 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is YOLJZODIHZIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-31-25-15-23(26(33)16-27(25)37-18-28(31)34)30(36)22-9-5-6-10-24(22)32(29(30)35)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-16,33,36H,17-18H2,1H3.
What are the key properties of 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one?
7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-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 7-hydroxy-6-[3-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]indol-3-yl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 174706687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).