2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one

C17H18N2O4 — CID 46613480

IUPAC2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2C)cc(OC)c1O
InChIInChI=1S/C17H18N2O4/c1-19-16(18-12-7-5-4-6-11(12)17(19)21)10-8-13(22-2)15(20)14(9-10)23-3/h4-9,16,18,20H,1-3H3
InChIKeyPRRNXRUIAFNZJQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.61
Rot. Bonds3

About 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one

2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 46613480) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID46613480
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2C)cc(OC)c1O
InChIInChI=1S/C17H18N2O4/c1-19-16(18-12-7-5-4-6-11(12)17(19)21)10-8-13(22-2)15(20)14(9-10)23-3/h4-9,16,18,20H,1-3H3
InChIKeyPRRNXRUIAFNZJQ-UHFFFAOYSA-N
XLogP2.61
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (CID 46613480) is 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is COc1cc(C2Nc3ccccc3C(=O)N2C)cc(OC)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is PRRNXRUIAFNZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19-16(18-12-7-5-4-6-11(12)17(19)21)10-8-13(22-2)15(20)14(9-10)23-3/h4-9,16,18,20H,1-3H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 314.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 46613480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).