6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline

C24H22N2O5 — CID 57401806

IUPAC6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline
SMILESCOc1cccc(COc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C24H22N2O5/c1-27-19-6-4-5-16(11-19)14-30-17-7-9-18(10-8-17)31-24-20-12-22(28-2)23(29-3)13-21(20)25-15-26-24/h4-13,15H,14H2,1-3H3
InChIKeyXYFGHOWVIROTAV-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.03
Rot. Bonds8

About 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline

6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline (PubChem CID 57401806) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline
PubChem CID57401806
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline
SMILESCOc1cccc(COc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C24H22N2O5/c1-27-19-6-4-5-16(11-19)14-30-17-7-9-18(10-8-17)31-24-20-12-22(28-2)23(29-3)13-21(20)25-15-26-24/h4-13,15H,14H2,1-3H3
InChIKeyXYFGHOWVIROTAV-UHFFFAOYSA-N
XLogP5.03
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline (CID 57401806) is 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline is COc1cccc(COc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1.
What is the InChIKey of 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline?
The InChIKey is XYFGHOWVIROTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-27-19-6-4-5-16(11-19)14-30-17-7-9-18(10-8-17)31-24-20-12-22(28-2)23(29-3)13-21(20)25-15-26-24/h4-13,15H,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline?
6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline has a molecular weight of 418.45 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[(3-methoxyphenyl)methoxy]phenoxy]quinazoline is sourced from PubChem (CID 57401806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).