2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one

C17H17ClN2O — CID 54778170

IUPAC2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-20-16(21)14-6-4-5-7-15(14)19-17(20,2)12-8-10-13(18)11-9-12/h4-11,19H,3H2,1-2H3
InChIKeyVTKOGDOCTKVHBC-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.10
Rot. Bonds2

About 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one

2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one (PubChem CID 54778170) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
PubChem CID54778170
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-20-16(21)14-6-4-5-7-15(14)19-17(20,2)12-8-10-13(18)11-9-12/h4-11,19H,3H2,1-2H3
InChIKeyVTKOGDOCTKVHBC-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614
2-methyl-2-phenyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779677
3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54777990
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one (CID 54778170) is 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one is CCN1C(=O)c2ccccc2NC1(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one?
The InChIKey is VTKOGDOCTKVHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-20-16(21)14-6-4-5-7-15(14)19-17(20,2)12-8-10-13(18)11-9-12/h4-11,19H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one?
2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one has a molecular weight of 300.79 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).