2-phenyl-6-propan-2-yl-3H-quinazolin-4-one

C17H16N2O — CID 176911970

IUPAC2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H16N2O/c1-11(2)13-8-9-15-14(10-13)17(20)19-16(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20)
InChIKeyGELHWHBKPDXVGS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.71
Rot. Bonds2

About 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one

2-phenyl-6-propan-2-yl-3H-quinazolin-4-one (PubChem CID 176911970) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
PubChem CID176911970
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H16N2O/c1-11(2)13-8-9-15-14(10-13)17(20)19-16(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20)
InChIKeyGELHWHBKPDXVGS-UHFFFAOYSA-N
XLogP3.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
2-[3-(2-methylpropylsulfanyl)phenyl]-3H-quinazolin-4-one
CID 168551121
2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
CID 135993647
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
2-phenyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135603555
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one (CID 176911970) is 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one is CC(C)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is GELHWHBKPDXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11(2)13-8-9-15-14(10-13)17(20)19-16(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one?
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 264.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 176911970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).