8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

C15H16F4N2 — CID 63743224

IUPAC8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(F)cc(C)cc12
InChIInChI=1S/C15H16F4N2/c1-4-5-20-12-9(3)14(15(17,18)19)21-13-10(12)6-8(2)7-11(13)16/h6-7H,4-5H2,1-3H3,(H,20,21)
InChIKeyYOECMYXUKRCIMT-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.83
Rot. Bonds3

About 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63743224) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63743224
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(F)cc(C)cc12
InChIInChI=1S/C15H16F4N2/c1-4-5-20-12-9(3)14(15(17,18)19)21-13-10(12)6-8(2)7-11(13)16/h6-7H,4-5H2,1-3H3,(H,20,21)
InChIKeyYOECMYXUKRCIMT-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 63743224) is 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1c(C)c(C(F)(F)F)nc2c(F)cc(C)cc12.
What is the InChIKey of 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is YOECMYXUKRCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c1-4-5-20-12-9(3)14(15(17,18)19)21-13-10(12)6-8(2)7-11(13)16/h6-7H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 300.30 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63743224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).