6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one

C20H22N2O6 — CID 118722443

IUPAC6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1cc2ncn(Cc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C20H22N2O6/c1-24-15-8-13-14(9-16(15)25-2)21-11-22(20(13)23)10-12-6-17(26-3)19(28-5)18(7-12)27-4/h6-9,11H,10H2,1-5H3
InChIKeyDOXVUEKLXMAJFR-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.49
Rot. Bonds7

About 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one

6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one (PubChem CID 118722443) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
PubChem CID118722443
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1cc2ncn(Cc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C20H22N2O6/c1-24-15-8-13-14(9-16(15)25-2)21-11-22(20(13)23)10-12-6-17(26-3)19(28-5)18(7-12)27-4/h6-9,11H,10H2,1-5H3
InChIKeyDOXVUEKLXMAJFR-UHFFFAOYSA-N
XLogP2.49
TPSA81.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one (CID 118722443) is 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one is COc1cc2ncn(Cc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is DOXVUEKLXMAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-24-15-8-13-14(9-16(15)25-2)21-11-22(20(13)23)10-12-6-17(26-3)19(28-5)18(7-12)27-4/h6-9,11H,10H2,1-5H3.
What are the key properties of 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one?
6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 386.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 118722443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).