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

C14H13Cl2F3N2 — CID 104728229

IUPAC5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C14H13Cl2F3N2/c1-3-4-20-9-6-10(14(17,18)19)21-13-8(15)5-7(2)12(16)11(9)13/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyQIGZDEUITMCMRA-UHFFFAOYSA-N
MW337.17 g/mol
LogP5.69
Rot. Bonds3

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

5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 104728229) has the molecular formula C14H13Cl2F3N2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID104728229
Molecular FormulaC14H13Cl2F3N2
Molecular Weight337.17 g/mol
Exact Mass336.04
IUPAC Name5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C14H13Cl2F3N2/c1-3-4-20-9-6-10(14(17,18)19)21-13-8(15)5-7(2)12(16)11(9)13/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyQIGZDEUITMCMRA-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.17
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 104728229) is 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12.
What is the InChIKey of 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is QIGZDEUITMCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N2/c1-3-4-20-9-6-10(14(17,18)19)21-13-8(15)5-7(2)12(16)11(9)13/h5-6H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 337.17 g/mol, XLogP of 5.69, 3 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-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 104728229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).