2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine

C16H14FN3 — CID 81478771

IUPAC2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine
SMILESCc1cccc(-c2nc(N)c3c(C)cccc3n2)c1F
InChIInChI=1S/C16H14FN3/c1-9-5-4-8-12-13(9)15(18)20-16(19-12)11-7-3-6-10(2)14(11)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyMWAHPFAKGOAETD-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.63
Rot. Bonds1

About 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine

2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine (PubChem CID 81478771) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine
PubChem CID81478771
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine
SMILESCc1cccc(-c2nc(N)c3c(C)cccc3n2)c1F
InChIInChI=1S/C16H14FN3/c1-9-5-4-8-12-13(9)15(18)20-16(19-12)11-7-3-6-10(2)14(11)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyMWAHPFAKGOAETD-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-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 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine (CID 81478771) is 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine is Cc1cccc(-c2nc(N)c3c(C)cccc3n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine?
The InChIKey is MWAHPFAKGOAETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-9-5-4-8-12-13(9)15(18)20-16(19-12)11-7-3-6-10(2)14(11)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine?
2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine is sourced from PubChem (CID 81478771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).