8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine

C12H10ClF3N2O — CID 63744590

IUPAC8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(N)c12
InChIInChI=1S/C12H10ClF3N2O/c1-5-9(17)8-7(19-2)4-3-6(13)10(8)18-11(5)12(14,15)16/h3-4H,1-2H3,(H2,17,18)
InChIKeyJTDGZWSHYATOTK-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.81
Rot. Bonds1

About 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine

8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744590) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744590
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(N)c12
InChIInChI=1S/C12H10ClF3N2O/c1-5-9(17)8-7(19-2)4-3-6(13)10(8)18-11(5)12(14,15)16/h3-4H,1-2H3,(H2,17,18)
InChIKeyJTDGZWSHYATOTK-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744590) is 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine is COc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(N)c12.
What is the InChIKey of 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JTDGZWSHYATOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-5-9(17)8-7(19-2)4-3-6(13)10(8)18-11(5)12(14,15)16/h3-4H,1-2H3,(H2,17,18).
What are the key properties of 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 290.67 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).