(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C15H14N2O2 — CID 790493

IUPAC(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2)c1
InChIInChI=1S/C15H14N2O2/c1-9-6-7-13(18)11(8-9)14-16-12-5-3-2-4-10(12)15(19)17-14/h2-8,14,16,18H,1H3,(H,17,19)/t14-/m0/s1
InChIKeyUTFRIBOOAYXWMS-AWEZNQCLSA-N
MW254.29 g/mol
LogP2.55
Rot. Bonds1

About (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 790493) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID790493
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2)c1
InChIInChI=1S/C15H14N2O2/c1-9-6-7-13(18)11(8-9)14-16-12-5-3-2-4-10(12)15(19)17-14/h2-8,14,16,18H,1H3,(H,17,19)/t14-/m0/s1
InChIKeyUTFRIBOOAYXWMS-AWEZNQCLSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 865092
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880782
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
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-hydroxy-5-methylphenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3746898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 790493) is (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is Cc1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2)c1.
What is the InChIKey of (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is UTFRIBOOAYXWMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-6-7-13(18)11(8-9)14-16-12-5-3-2-4-10(12)15(19)17-14/h2-8,14,16,18H,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 254.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).