4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine

C16H14ClN3O2 — CID 22626608

IUPAC4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C16H14ClN3O2/c1-21-13-7-11-12(8-14(13)22-2)19-16(18)20-15(11)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyZCNXVOUGSADCOR-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine

4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine (PubChem CID 22626608) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
PubChem CID22626608
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C16H14ClN3O2/c1-21-13-7-11-12(8-14(13)22-2)19-16(18)20-15(11)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyZCNXVOUGSADCOR-UHFFFAOYSA-N
XLogP3.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine 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 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine (CID 22626608) is 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine is COc1cc2nc(N)nc(-c3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The InChIKey is ZCNXVOUGSADCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-21-13-7-11-12(8-14(13)22-2)19-16(18)20-15(11)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine?
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine has a molecular weight of 315.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine is sourced from PubChem (CID 22626608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).