5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H12ClF3N2O2 — CID 63744248

IUPAC5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc(OC)c2nc(C(F)(F)F)c(C)c(N)c2c1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-5-10(18)8-9(14)6(20-2)4-7(21-3)11(8)19-12(5)13(15,16)17/h4H,1-3H3,(H2,18,19)
InChIKeyPRCPIEMCRSJAND-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.81
Rot. Bonds2

About 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine

5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744248) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744248
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc(OC)c2nc(C(F)(F)F)c(C)c(N)c2c1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-5-10(18)8-9(14)6(20-2)4-7(21-3)11(8)19-12(5)13(15,16)17/h4H,1-3H3,(H2,18,19)
InChIKeyPRCPIEMCRSJAND-UHFFFAOYSA-N
XLogP3.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744248) is 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine is COc1cc(OC)c2nc(C(F)(F)F)c(C)c(N)c2c1Cl.
What is the InChIKey of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is PRCPIEMCRSJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-5-10(18)8-9(14)6(20-2)4-7(21-3)11(8)19-12(5)13(15,16)17/h4H,1-3H3,(H2,18,19).
What are the key properties of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 320.70 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).