2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine

C16H14FN3 — CID 64981282

IUPAC2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(F)c2)nc2c(C)cccc12
InChIInChI=1S/C16H14FN3/c1-10-5-3-8-13-14(10)19-15(20-16(13)18-2)11-6-4-7-12(17)9-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyFUDRMCGKIRDKRY-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.79
Rot. Bonds2

About 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine

2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine (PubChem CID 64981282) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
PubChem CID64981282
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(F)c2)nc2c(C)cccc12
InChIInChI=1S/C16H14FN3/c1-10-5-3-8-13-14(10)19-15(20-16(13)18-2)11-6-4-7-12(17)9-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyFUDRMCGKIRDKRY-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 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine (CID 64981282) is 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine is CNc1nc(-c2cccc(F)c2)nc2c(C)cccc12.
What is the InChIKey of 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine?
The InChIKey is FUDRMCGKIRDKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-5-3-8-13-14(10)19-15(20-16(13)18-2)11-6-4-7-12(17)9-11/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine?
2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-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 2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine is sourced from PubChem (CID 64981282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).