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

C26H24N2O3 — CID 159750510

IUPAC6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
SMILESCC(C)c1cccc(-c2cccc(Cn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1
InChIInChI=1S/C26H24N2O3/c1-17(2)19-6-4-8-21(12-19)20-7-3-5-18(11-20)14-28-16-27-24-10-9-22(25(30)15-29)13-23(24)26(28)31/h3-13,16-17,29H,14-15H2,1-2H3
InChIKeyVQWWRIOOCNMMBJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.41
Rot. Bonds6

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

6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one (PubChem CID 159750510) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
PubChem CID159750510
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
SMILESCC(C)c1cccc(-c2cccc(Cn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1
InChIInChI=1S/C26H24N2O3/c1-17(2)19-6-4-8-21(12-19)20-7-3-5-18(11-20)14-28-16-27-24-10-9-22(25(30)15-29)13-23(24)26(28)31/h3-13,16-17,29H,14-15H2,1-2H3
InChIKeyVQWWRIOOCNMMBJ-UHFFFAOYSA-N
XLogP4.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-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

6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
CID 158311258
6-(2-hydroxyacetyl)-3-[[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one
CID 158378259
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
5-bromo-3-[(3-fluorophenyl)methyl]-6-(3-propan-2-ylphenyl)pyrimidin-4-one
CID 21089586
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
CID 87413146
6-nitro-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-one
CID 7265612
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
CID 174523482

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one (CID 159750510) is 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one is CC(C)c1cccc(-c2cccc(Cn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.
What is the InChIKey of 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one?
The InChIKey is VQWWRIOOCNMMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17(2)19-6-4-8-21(12-19)20-7-3-5-18(11-20)14-28-16-27-24-10-9-22(25(30)15-29)13-23(24)26(28)31/h3-13,16-17,29H,14-15H2,1-2H3.
What are the key properties of 6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one?
6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one has a molecular weight of 412.49 g/mol, XLogP of 4.41, 6 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-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 159750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).