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

C13H12ClF3N2O — CID 63743220

IUPAC5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(OC)ccc(Cl)c12
InChIInChI=1S/C13H12ClF3N2O/c1-6-10(18-2)9-7(14)4-5-8(20-3)11(9)19-12(6)13(15,16)17/h4-5H,1-3H3,(H,18,19)
InChIKeyJJHHIZJZXGOWGR-UHFFFAOYSA-N
MW304.70 g/mol
LogP4.27
Rot. Bonds2

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

5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63743220) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63743220
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(OC)ccc(Cl)c12
InChIInChI=1S/C13H12ClF3N2O/c1-6-10(18-2)9-7(14)4-5-8(20-3)11(9)19-12(6)13(15,16)17/h4-5H,1-3H3,(H,18,19)
InChIKeyJJHHIZJZXGOWGR-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 63743220) is 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CNc1c(C)c(C(F)(F)F)nc2c(OC)ccc(Cl)c12.
What is the InChIKey of 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JJHHIZJZXGOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-6-10(18-2)9-7(14)4-5-8(20-3)11(9)19-12(6)13(15,16)17/h4-5H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 304.70 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63743220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).