(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

C16H16N2O2 — CID 7106412

IUPAC(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-17-14-6-4-3-5-13(14)16(20)18(2)15(17)11-7-9-12(19)10-8-11/h3-10,15,19H,1-2H3/t15-/m0/s1
InChIKeyOGLXQJJNYMOIGH-HNNXBMFYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds1

About (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 7106412) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID7106412
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-17-14-6-4-3-5-13(14)16(20)18(2)15(17)11-7-9-12(19)10-8-11/h3-10,15,19H,1-2H3/t15-/m0/s1
InChIKeyOGLXQJJNYMOIGH-HNNXBMFYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (CID 7106412) is (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is OGLXQJJNYMOIGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-14-6-4-3-5-13(14)16(20)18(2)15(17)11-7-9-12(19)10-8-11/h3-10,15,19H,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 268.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 7106412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).