6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

C16H14N2O3 — CID 127038187

IUPAC6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-20-12-5-3-11(4-6-12)18-10-17-15-8-7-13(21-2)9-14(15)16(18)19/h3-10H,1-2H3
InChIKeySFQIVZYEMQYGLM-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.40
Rot. Bonds3

About 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 127038187) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID127038187
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-20-12-5-3-11(4-6-12)18-10-17-15-8-7-13(21-2)9-14(15)16(18)19/h3-10H,1-2H3
InChIKeySFQIVZYEMQYGLM-UHFFFAOYSA-N
XLogP2.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (CID 127038187) is 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2cnc3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is SFQIVZYEMQYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-5-3-11(4-6-12)18-10-17-15-8-7-13(21-2)9-14(15)16(18)19/h3-10H,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 127038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).