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

C16H16N2O2 — CID 3121404

IUPAC2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cccc(O)c1
InChIInChI=1S/C16H16N2O2/c1-17-14-9-4-3-8-13(14)16(20)18(2)15(17)11-6-5-7-12(19)10-11/h3-10,15,19H,1-2H3
InChIKeyPKDZXHCZOQSAJB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds1

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

2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 3121404) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID3121404
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cccc(O)c1
InChIInChI=1S/C16H16N2O2/c1-17-14-9-4-3-8-13(14)16(20)18(2)15(17)11-6-5-7-12(19)10-11/h3-10,15,19H,1-2H3
InChIKeyPKDZXHCZOQSAJB-UHFFFAOYSA-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 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (CID 3121404) is 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is CN1C(=O)c2ccccc2N(C)C1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is PKDZXHCZOQSAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-14-9-4-3-8-13(14)16(20)18(2)15(17)11-6-5-7-12(19)10-11/h3-10,15,19H,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
2-(3-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 2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 3121404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).