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

C15H16F4N2 — CID 63744759

IUPAC7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(C)c(F)ccc12
InChIInChI=1S/C15H16F4N2/c1-4-7-20-12-9(3)14(15(17,18)19)21-13-8(2)11(16)6-5-10(12)13/h5-6H,4,7H2,1-3H3,(H,20,21)
InChIKeyIPDTVPLOSXSAFU-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.83
Rot. Bonds3

About 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744759) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744759
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(C)c(F)ccc12
InChIInChI=1S/C15H16F4N2/c1-4-7-20-12-9(3)14(15(17,18)19)21-13-8(2)11(16)6-5-10(12)13/h5-6H,4,7H2,1-3H3,(H,20,21)
InChIKeyIPDTVPLOSXSAFU-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 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744759) is 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1c(C)c(C(F)(F)F)nc2c(C)c(F)ccc12.
What is the InChIKey of 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IPDTVPLOSXSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c1-4-7-20-12-9(3)14(15(17,18)19)21-13-8(2)11(16)6-5-10(12)13/h5-6H,4,7H2,1-3H3,(H,20,21).
What are the key properties of 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
7-fluoro-3,8-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 7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).