2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one

C16H14N2O3 — CID 168551471

IUPAC2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)c(O)cc1C
InChIInChI=1S/C16H14N2O3/c1-9-7-13(19)11(8-14(9)21-2)15-17-12-6-4-3-5-10(12)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyNOLOBEXTJIPJGN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one

2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 168551471) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
PubChem CID168551471
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)c(O)cc1C
InChIInChI=1S/C16H14N2O3/c1-9-7-13(19)11(8-14(9)21-2)15-17-12-6-4-3-5-10(12)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyNOLOBEXTJIPJGN-UHFFFAOYSA-N
XLogP2.61
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one (CID 168551471) is 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)[nH]2)c(O)cc1C.
What is the InChIKey of 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is NOLOBEXTJIPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-7-13(19)11(8-14(9)21-2)15-17-12-6-4-3-5-10(12)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20).
What are the key properties of 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one?
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).