6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one

C21H16N2O2 — CID 135800573

IUPAC6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(C(O)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c24-20-18-13-17(11-12-19(18)22-14-23-20)21(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,(H,22,23,24)
InChIKeyLBNNEGQXLCXVEP-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.21
Rot. Bonds3

About 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one

6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one (PubChem CID 135800573) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
PubChem CID135800573
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(C(O)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c24-20-18-13-17(11-12-19(18)22-14-23-20)21(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,(H,22,23,24)
InChIKeyLBNNEGQXLCXVEP-UHFFFAOYSA-N
XLogP3.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-3H-quinazolin-4-one
CID 135741302
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
CID 135518226
methane;3H-quinazolin-4-one
CID 143348425
6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one
CID 170753479
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 154800942
2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid
CID 170824720
6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one (CID 135800573) is 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(C(O)(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one?
The InChIKey is LBNNEGQXLCXVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20-18-13-17(11-12-19(18)22-14-23-20)21(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,(H,22,23,24).
What are the key properties of 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one?
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135800573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).