5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H7Cl2F3N2 — CID 113445976

IUPAC5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Cl)c2nc(C(F)(F)F)cc(N)c2c1Cl
InChIInChI=1S/C11H7Cl2F3N2/c1-4-2-5(12)10-8(9(4)13)6(17)3-7(18-10)11(14,15)16/h2-3H,1H3,(H2,17,18)
InChIKeyUXUORVLATILSPT-UHFFFAOYSA-N
MW295.09 g/mol
LogP4.45
Rot. Bonds

About 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine

5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 113445976) has the molecular formula C11H7Cl2F3N2 and a molecular weight of 295.09 g/mol. Its IUPAC name is 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID113445976
Molecular FormulaC11H7Cl2F3N2
Molecular Weight295.09 g/mol
Exact Mass293.99
IUPAC Name5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Cl)c2nc(C(F)(F)F)cc(N)c2c1Cl
InChIInChI=1S/C11H7Cl2F3N2/c1-4-2-5(12)10-8(9(4)13)6(17)3-7(18-10)11(14,15)16/h2-3H,1H3,(H2,17,18)
InChIKeyUXUORVLATILSPT-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728198
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
5,8-dichloro-6-methyl-2-propylquinolin-4-amine
CID 104728203
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
CID 55045501
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 107594002
7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 79046115
5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947250
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55045264
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 113445976) is 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1cc(Cl)c2nc(C(F)(F)F)cc(N)c2c1Cl.
What is the InChIKey of 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is UXUORVLATILSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2/c1-4-2-5(12)10-8(9(4)13)6(17)3-7(18-10)11(14,15)16/h2-3H,1H3,(H2,17,18).
What are the key properties of 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine?
5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 295.09 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 113445976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).