5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine

C16H16N4O3 — CID 15551242

IUPAC5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
SMILESCOc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyYBIRGKKOYUEYOL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.60
Rot. Bonds4

About 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine

5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine (PubChem CID 15551242) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
PubChem CID15551242
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
SMILESCOc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyYBIRGKKOYUEYOL-UHFFFAOYSA-N
XLogP2.60
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine 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 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine (CID 15551242) is 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine is COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The InChIKey is YBIRGKKOYUEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine has a molecular weight of 312.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 15551242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).