4-methyl-2-(4,4,4-trifluorobutyl)quinoline

C14H14F3N — CID 164668878

IUPAC4-methyl-2-(4,4,4-trifluorobutyl)quinoline
SMILESCc1cc(CCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H14F3N/c1-10-9-11(5-4-8-14(15,16)17)18-13-7-3-2-6-12(10)13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyIKXFLPBNDUNGEV-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.43
Rot. Bonds3

About 4-methyl-2-(4,4,4-trifluorobutyl)quinoline

4-methyl-2-(4,4,4-trifluorobutyl)quinoline (PubChem CID 164668878) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methyl-2-(4,4,4-trifluorobutyl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(4,4,4-trifluorobutyl)quinoline
PubChem CID164668878
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-methyl-2-(4,4,4-trifluorobutyl)quinoline
SMILESCc1cc(CCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H14F3N/c1-10-9-11(5-4-8-14(15,16)17)18-13-7-3-2-6-12(10)13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyIKXFLPBNDUNGEV-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-(4,4,4-trifluorobutyl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

Tacrine
CID 1935
Quinoline
CID 7047
Acridine
CID 9215
6-Methylquinoline
CID 7059
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4,4,4-trifluorobutyl)quinoline?
The IUPAC name of 4-methyl-2-(4,4,4-trifluorobutyl)quinoline (CID 164668878) is 4-methyl-2-(4,4,4-trifluorobutyl)quinoline.
What is the SMILES notation for 4-methyl-2-(4,4,4-trifluorobutyl)quinoline?
The canonical SMILES for 4-methyl-2-(4,4,4-trifluorobutyl)quinoline is Cc1cc(CCCC(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4,4,4-trifluorobutyl)quinoline?
The InChIKey is IKXFLPBNDUNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-10-9-11(5-4-8-14(15,16)17)18-13-7-3-2-6-12(10)13/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 4-methyl-2-(4,4,4-trifluorobutyl)quinoline?
4-methyl-2-(4,4,4-trifluorobutyl)quinoline has a molecular weight of 253.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4,4,4-trifluorobutyl)quinoline is sourced from PubChem (CID 164668878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).