4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one

C18H18N2O — CID 125483876

IUPAC4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
SMILESCc1ccc(-c2nc(=O)n(C(C)C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-12(2)20-16-7-5-4-6-15(16)17(19-18(20)21)14-10-8-13(3)9-11-14/h4-12H,1-3H3
InChIKeyUUONGVUQZPZQNV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.95
Rot. Bonds2

About 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one

4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one (PubChem CID 125483876) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
PubChem CID125483876
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
SMILESCc1ccc(-c2nc(=O)n(C(C)C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-12(2)20-16-7-5-4-6-15(16)17(19-18(20)21)14-10-8-13(3)9-11-14/h4-12H,1-3H3
InChIKeyUUONGVUQZPZQNV-UHFFFAOYSA-N
XLogP3.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-propan-2-ylquinazolin-2-one
CID 156889369
4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
CID 4620021
ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
CID 142195937
7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one
CID 154096820
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
3-(4-methylphenyl)indazole-1-carbothioamide
CID 174958305
6-(4-methylphenyl)phenanthridine
CID 10707098
11-propan-2-ylbenzo[a]carbazole
CID 118058944

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one?
The IUPAC name of 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one (CID 125483876) is 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one is Cc1ccc(-c2nc(=O)n(C(C)C)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one?
The InChIKey is UUONGVUQZPZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12(2)20-16-7-5-4-6-15(16)17(19-18(20)21)14-10-8-13(3)9-11-14/h4-12H,1-3H3.
What are the key properties of 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one?
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one is sourced from PubChem (CID 125483876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).