4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine

C19H16FN5O — CID 169231719

IUPAC4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1N
InChIInChI=1S/C19H16FN5O/c1-25-9-13(19(24-25)11-5-3-4-6-14(11)20)18-12-7-15(21)17(26-2)8-16(12)22-10-23-18/h3-10H,21H2,1-2H3
InChIKeyNETWODMDQBYARZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.43
Rot. Bonds3

About 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine

4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine (PubChem CID 169231719) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
PubChem CID169231719
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1N
InChIInChI=1S/C19H16FN5O/c1-25-9-13(19(24-25)11-5-3-4-6-14(11)20)18-12-7-15(21)17(26-2)8-16(12)22-10-23-18/h3-10H,21H2,1-2H3
InChIKeyNETWODMDQBYARZ-UHFFFAOYSA-N
XLogP3.43
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-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-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine?
The IUPAC name of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine (CID 169231719) is 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1N.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine?
The InChIKey is NETWODMDQBYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-25-9-13(19(24-25)11-5-3-4-6-14(11)20)18-12-7-15(21)17(26-2)8-16(12)22-10-23-18/h3-10H,21H2,1-2H3.
What are the key properties of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine?
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine has a molecular weight of 349.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine is sourced from PubChem (CID 169231719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).