N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine

C16H14FN3O2 — CID 70190585

IUPACN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccccc3F)nc2cc1OC
InChIInChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyHKMFZZIWJRGTME-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.53
Rot. Bonds4

About N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine

N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine (PubChem CID 70190585) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
PubChem CID70190585
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccccc3F)nc2cc1OC
InChIInChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyHKMFZZIWJRGTME-UHFFFAOYSA-N
XLogP3.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-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 N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine (CID 70190585) is N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine is COc1cc2cnc(Nc3ccccc3F)nc2cc1OC.
What is the InChIKey of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The InChIKey is HKMFZZIWJRGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine has a molecular weight of 299.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine is sourced from PubChem (CID 70190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).