8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine

C16H14FN3 — CID 175914880

IUPAC8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine
SMILESCNc1ncc2cc(C)cc(-c3ccccc3F)c2n1
InChIInChI=1S/C16H14FN3/c1-10-7-11-9-19-16(18-2)20-15(11)13(8-10)12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyWCCOIACXHSQXMZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.79
Rot. Bonds2

About 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine

8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine (PubChem CID 175914880) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine
PubChem CID175914880
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine
SMILESCNc1ncc2cc(C)cc(-c3ccccc3F)c2n1
InChIInChI=1S/C16H14FN3/c1-10-7-11-9-19-16(18-2)20-15(11)13(8-10)12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyWCCOIACXHSQXMZ-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine?
The IUPAC name of 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine (CID 175914880) is 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine.
What is the SMILES notation for 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine?
The canonical SMILES for 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine is CNc1ncc2cc(C)cc(-c3ccccc3F)c2n1.
What is the InChIKey of 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine?
The InChIKey is WCCOIACXHSQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-7-11-9-19-16(18-2)20-15(11)13(8-10)12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine?
8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine has a molecular weight of 267.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-N,6-dimethylquinazolin-2-amine is sourced from PubChem (CID 175914880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).