N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

C16H15ClFN3O2 — CID 11404920

IUPACN-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC.Cl
InChIInChI=1S/C16H14FN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
InChIKeyRDTDGGZVPYUBOR-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.95
Rot. Bonds4

About N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 11404920) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID11404920
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC NameN-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC.Cl
InChIInChI=1S/C16H14FN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
InChIKeyRDTDGGZVPYUBOR-UHFFFAOYSA-N
XLogP3.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Gefitinib
CID 123631
Cediranib
CID 9933475
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Sapitinib
CID 11488320
Tandutinib
CID 3038522
PD-153035
CID 4705
Icotinib
CID 22024915
Cudc-101
CID 24756910
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 11404920) is N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC.Cl.
What is the InChIKey of N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is RDTDGGZVPYUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H.
What are the key properties of N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 335.77 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 11404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).