5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride

C13H14ClF3N2O2 — CID 54606634

IUPAC5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride
SMILESCOc1cc(N)c(OC)c2c(C)cc(C(F)(F)F)nc12.Cl
InChIInChI=1S/C13H13F3N2O2.ClH/c1-6-4-9(13(14,15)16)18-11-8(19-2)5-7(17)12(20-3)10(6)11;/h4-5H,17H2,1-3H3;1H
InChIKeyGZMJCCPATXPLPB-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.58
Rot. Bonds2

About 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride

5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride (PubChem CID 54606634) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride.

Molecular Properties

Compound Name5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride
PubChem CID54606634
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride
SMILESCOc1cc(N)c(OC)c2c(C)cc(C(F)(F)F)nc12.Cl
InChIInChI=1S/C13H13F3N2O2.ClH/c1-6-4-9(13(14,15)16)18-11-8(19-2)5-7(17)12(20-3)10(6)11;/h4-5H,17H2,1-3H3;1H
InChIKeyGZMJCCPATXPLPB-UHFFFAOYSA-N
XLogP3.58
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride?
The IUPAC name of 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride (CID 54606634) is 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride.
What is the SMILES notation for 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride?
The canonical SMILES for 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride is COc1cc(N)c(OC)c2c(C)cc(C(F)(F)F)nc12.Cl.
What is the InChIKey of 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride?
The InChIKey is GZMJCCPATXPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2.ClH/c1-6-4-9(13(14,15)16)18-11-8(19-2)5-7(17)12(20-3)10(6)11;/h4-5H,17H2,1-3H3;1H.
What are the key properties of 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride?
5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride has a molecular weight of 322.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride is sourced from PubChem (CID 54606634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).