2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine

C16H14FN3 — CID 64983492

IUPAC2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3ccc(F)c(C)c3)nc(N)c2c1
InChIInChI=1S/C16H14FN3/c1-9-3-6-14-12(7-9)15(18)20-16(19-14)11-4-5-13(17)10(2)8-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGCANYGCDHJNUCI-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.63
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine

2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine (PubChem CID 64983492) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
PubChem CID64983492
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3ccc(F)c(C)c3)nc(N)c2c1
InChIInChI=1S/C16H14FN3/c1-9-3-6-14-12(7-9)15(18)20-16(19-14)11-4-5-13(17)10(2)8-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGCANYGCDHJNUCI-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine (CID 64983492) is 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine is Cc1ccc2nc(-c3ccc(F)c(C)c3)nc(N)c2c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine?
The InChIKey is GCANYGCDHJNUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-9-3-6-14-12(7-9)15(18)20-16(19-14)11-4-5-13(17)10(2)8-11/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine?
2-(4-fluoro-3-methylphenyl)-6-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-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 64983492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).