4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile

C13H10F3N3 — CID 622172

IUPAC4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCc1cc(C)c2nc(C(F)(F)F)c(C#N)c(N)c2c1
InChIInChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)
InChIKeyAIGYFVPRVIBIBS-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.32
Rot. Bonds

About 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile

4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile (PubChem CID 622172) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile
PubChem CID622172
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCc1cc(C)c2nc(C(F)(F)F)c(C#N)c(N)c2c1
InChIInChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)
InChIKeyAIGYFVPRVIBIBS-UHFFFAOYSA-N
XLogP3.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The IUPAC name of 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile (CID 622172) is 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The canonical SMILES for 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile is Cc1cc(C)c2nc(C(F)(F)F)c(C#N)c(N)c2c1.
What is the InChIKey of 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The InChIKey is AIGYFVPRVIBIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19).
What are the key properties of 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile?
4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile has a molecular weight of 265.24 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,8-dimethyl-2-(trifluoromethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 622172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).