4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

C19H17N3O2 — CID 59777571

IUPAC4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCc1c(O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12
InChIInChI=1S/C19H17N3O2/c1-11(2)18-21-17-12(3)16(23)9-8-15(17)19(24)22(18)14-6-4-13(10-20)5-7-14/h4-9,11,23H,1-3H3
InChIKeyLTLWMBLPRRTWAQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.39
Rot. Bonds2

About 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (PubChem CID 59777571) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
PubChem CID59777571
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCc1c(O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12
InChIInChI=1S/C19H17N3O2/c1-11(2)18-21-17-12(3)16(23)9-8-15(17)19(24)22(18)14-6-4-13(10-20)5-7-14/h4-9,11,23H,1-3H3
InChIKeyLTLWMBLPRRTWAQ-UHFFFAOYSA-N
XLogP3.39
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The IUPAC name of 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (CID 59777571) is 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.
What is the SMILES notation for 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The canonical SMILES for 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is Cc1c(O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12.
What is the InChIKey of 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The InChIKey is LTLWMBLPRRTWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11(2)18-21-17-12(3)16(23)9-8-15(17)19(24)22(18)14-6-4-13(10-20)5-7-14/h4-9,11,23H,1-3H3.
What are the key properties of 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is sourced from PubChem (CID 59777571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).