(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C16H16N2O — CID 51374346

IUPAC(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc([C@H]2NC(=O)c3ccccc3N2)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-7-8-12(11(2)9-10)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyFVVLOAVPINWXMY-OAHLLOKOSA-N
MW252.32 g/mol
LogP3.16
Rot. Bonds1

About (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 51374346) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID51374346
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc([C@H]2NC(=O)c3ccccc3N2)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-7-8-12(11(2)9-10)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyFVVLOAVPINWXMY-OAHLLOKOSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 865092
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880782
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
(2S)-2-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 41155134
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 51374346) is (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one is Cc1ccc([C@H]2NC(=O)c3ccccc3N2)c(C)c1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is FVVLOAVPINWXMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-7-8-12(11(2)9-10)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 252.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 51374346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).