8-methoxy-2-propyl-4-(trifluoromethyl)quinoline

C14H14F3NO — CID 102107176

IUPAC8-methoxy-2-propyl-4-(trifluoromethyl)quinoline
SMILESCCCc1cc(C(F)(F)F)c2cccc(OC)c2n1
InChIInChI=1S/C14H14F3NO/c1-3-5-9-8-11(14(15,16)17)10-6-4-7-12(19-2)13(10)18-9/h4,6-8H,3,5H2,1-2H3
InChIKeyXRLVTAAPWGOWTH-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.21
Rot. Bonds3

About 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline

8-methoxy-2-propyl-4-(trifluoromethyl)quinoline (PubChem CID 102107176) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-methoxy-2-propyl-4-(trifluoromethyl)quinoline
PubChem CID102107176
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name8-methoxy-2-propyl-4-(trifluoromethyl)quinoline
SMILESCCCc1cc(C(F)(F)F)c2cccc(OC)c2n1
InChIInChI=1S/C14H14F3NO/c1-3-5-9-8-11(14(15,16)17)10-6-4-7-12(19-2)13(10)18-9/h4,6-8H,3,5H2,1-2H3
InChIKeyXRLVTAAPWGOWTH-UHFFFAOYSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-8-methoxy-4-(trifluoromethyl)quinoline
CID 167216577
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
CID 121236574
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
CID 175897047
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline
CID 62319927
(8-methoxy-4-methylquinazolin-2-yl)methanamine
CID 84777278
2-methyl-6-propyl-3-(trifluoromethyl)pyridine
CID 145086517
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline?
The IUPAC name of 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline (CID 102107176) is 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline?
The canonical SMILES for 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline is CCCc1cc(C(F)(F)F)c2cccc(OC)c2n1.
What is the InChIKey of 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline?
The InChIKey is XRLVTAAPWGOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-5-9-8-11(14(15,16)17)10-6-4-7-12(19-2)13(10)18-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline?
8-methoxy-2-propyl-4-(trifluoromethyl)quinoline has a molecular weight of 269.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propyl-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 102107176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).