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

C12H10ClF3N2 — CID 55230313

IUPAC5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(C)ccc(Cl)c2c1N
InChIInChI=1S/C12H10ClF3N2/c1-5-3-4-7(13)8-9(17)6(2)11(12(14,15)16)18-10(5)8/h3-4H,1-2H3,(H2,17,18)
InChIKeySBFCGPGVPCWDEB-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.11
Rot. Bonds

About 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine

5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55230313) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55230313
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(C)ccc(Cl)c2c1N
InChIInChI=1S/C12H10ClF3N2/c1-5-3-4-7(13)8-9(17)6(2)11(12(14,15)16)18-10(5)8/h3-4H,1-2H3,(H2,17,18)
InChIKeySBFCGPGVPCWDEB-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 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 55230313) is 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine is Cc1c(C(F)(F)F)nc2c(C)ccc(Cl)c2c1N.
What is the InChIKey of 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is SBFCGPGVPCWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c1-5-3-4-7(13)8-9(17)6(2)11(12(14,15)16)18-10(5)8/h3-4H,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-3,8-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 5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55230313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).