4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

C12H8F3N3O — CID 824060

IUPAC4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCOc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1
InChIInChI=1S/C12H8F3N3O/c1-19-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)
InChIKeyRCWHVQVJHLZELL-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.72
Rot. Bonds1

About 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (PubChem CID 824060) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
PubChem CID824060
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCOc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1
InChIInChI=1S/C12H8F3N3O/c1-19-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)
InChIKeyRCWHVQVJHLZELL-UHFFFAOYSA-N
XLogP2.72
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The IUPAC name of 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CID 824060) is 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The canonical SMILES for 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is COc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1.
What is the InChIKey of 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The InChIKey is RCWHVQVJHLZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c1-19-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18).
What are the key properties of 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile has a molecular weight of 267.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).