8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C12H10ClF3N2 — CID 63744581

IUPAC8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Cl)c2nc(C(F)(F)F)c(C)c(N)c2c1
InChIInChI=1S/C12H10ClF3N2/c1-5-3-7-9(17)6(2)11(12(14,15)16)18-10(7)8(13)4-5/h3-4H,1-2H3,(H2,17,18)
InChIKeyOFHZBJLMFQKVGP-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.11
Rot. Bonds

About 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine

8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744581) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744581
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Cl)c2nc(C(F)(F)F)c(C)c(N)c2c1
InChIInChI=1S/C12H10ClF3N2/c1-5-3-7-9(17)6(2)11(12(14,15)16)18-10(7)8(13)4-5/h3-4H,1-2H3,(H2,17,18)
InChIKeyOFHZBJLMFQKVGP-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744581) is 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine is Cc1cc(Cl)c2nc(C(F)(F)F)c(C)c(N)c2c1.
What is the InChIKey of 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is OFHZBJLMFQKVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c1-5-3-7-9(17)6(2)11(12(14,15)16)18-10(7)8(13)4-5/h3-4H,1-2H3,(H2,17,18).
What are the key properties of 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 274.67 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).