5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride

C11H15Cl2N3O3 — CID 162315419

IUPAC5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride
SMILESCOc1cc2nc(N)ncc2c(OC)c1OC.Cl.Cl
InChIInChI=1S/C11H13N3O3.2ClH/c1-15-8-4-7-6(5-13-11(12)14-7)9(16-2)10(8)17-3;;/h4-5H,1-3H3,(H2,12,13,14);2*1H
InChIKeyKWSNKBDCGYYEFV-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.08
Rot. Bonds3

About 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride

5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride (PubChem CID 162315419) has the molecular formula C11H15Cl2N3O3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride
PubChem CID162315419
Molecular FormulaC11H15Cl2N3O3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride
SMILESCOc1cc2nc(N)ncc2c(OC)c1OC.Cl.Cl
InChIInChI=1S/C11H13N3O3.2ClH/c1-15-8-4-7-6(5-13-11(12)14-7)9(16-2)10(8)17-3;;/h4-5H,1-3H3,(H2,12,13,14);2*1H
InChIKeyKWSNKBDCGYYEFV-UHFFFAOYSA-N
XLogP2.08
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride 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 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride?
The IUPAC name of 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride (CID 162315419) is 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride.
What is the SMILES notation for 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride?
The canonical SMILES for 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride is COc1cc2nc(N)ncc2c(OC)c1OC.Cl.Cl.
What is the InChIKey of 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride?
The InChIKey is KWSNKBDCGYYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3.2ClH/c1-15-8-4-7-6(5-13-11(12)14-7)9(16-2)10(8)17-3;;/h4-5H,1-3H3,(H2,12,13,14);2*1H.
What are the key properties of 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride?
5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride has a molecular weight of 308.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxyquinazolin-2-amine;dihydrochloride is sourced from PubChem (CID 162315419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).