6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

C14H13F5N2 — CID 63744755

IUPAC6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H13F5N2/c1-3-4-20-12-7(2)13(14(17,18)19)21-11-6-10(16)9(15)5-8(11)12/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyXJBNRAJZLHLCSD-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.66
Rot. Bonds3

About 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744755) has the molecular formula C14H13F5N2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744755
Molecular FormulaC14H13F5N2
Molecular Weight304.26 g/mol
Exact Mass304.10
IUPAC Name6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H13F5N2/c1-3-4-20-12-7(2)13(14(17,18)19)21-11-6-10(16)9(15)5-8(11)12/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyXJBNRAJZLHLCSD-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744755) is 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1c(C)c(C(F)(F)F)nc2cc(F)c(F)cc12.
What is the InChIKey of 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is XJBNRAJZLHLCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N2/c1-3-4-20-12-7(2)13(14(17,18)19)21-11-6-10(16)9(15)5-8(11)12/h5-6H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 304.26 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).