5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

C16H14N2O4 — CID 11587464

IUPAC5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-9-17-13-7-12(22-2)8-14(19)15(13)16(18)20/h3-9,19H,1-2H3
InChIKeyDOOPOVCHWUVNOP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.11
Rot. Bonds3

About 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 11587464) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID11587464
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-9-17-13-7-12(22-2)8-14(19)15(13)16(18)20/h3-9,19H,1-2H3
InChIKeyDOOPOVCHWUVNOP-UHFFFAOYSA-N
XLogP2.11
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (CID 11587464) is 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2cnc3cc(OC)cc(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is DOOPOVCHWUVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-9-17-13-7-12(22-2)8-14(19)15(13)16(18)20/h3-9,19H,1-2H3.
What are the key properties of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 298.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11587464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).