6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one

C24H20N2O3 — CID 158311258

IUPAC6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
SMILESCc1ccccc1-c1cccc(Cn2cnc3ccc(C(=O)CO)cc3c2=O)c1
InChIInChI=1S/C24H20N2O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(11-18)13-26-15-25-22-10-9-19(23(28)14-27)12-21(22)24(26)29/h2-12,15,27H,13-14H2,1H3
InChIKeyQGWVRHOUZUAXRG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.60
Rot. Bonds5

About 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one

6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one (PubChem CID 158311258) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
PubChem CID158311258
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
SMILESCc1ccccc1-c1cccc(Cn2cnc3ccc(C(=O)CO)cc3c2=O)c1
InChIInChI=1S/C24H20N2O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(11-18)13-26-15-25-22-10-9-19(23(28)14-27)12-21(22)24(26)29/h2-12,15,27H,13-14H2,1H3
InChIKeyQGWVRHOUZUAXRG-UHFFFAOYSA-N
XLogP3.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
CID 159750510
6-(2-hydroxyacetyl)-3-[[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one
CID 158378259
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 11177317
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
2-[4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile
CID 24622682

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one (CID 158311258) is 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one is Cc1ccccc1-c1cccc(Cn2cnc3ccc(C(=O)CO)cc3c2=O)c1.
What is the InChIKey of 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one?
The InChIKey is QGWVRHOUZUAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(11-18)13-26-15-25-22-10-9-19(23(28)14-27)12-21(22)24(26)29/h2-12,15,27H,13-14H2,1H3.
What are the key properties of 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one?
6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one has a molecular weight of 384.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 158311258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).