5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline

C18H22F3N — CID 162414301

IUPAC5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline
SMILESCCCc1c(C(F)(F)F)nc2cc(C)cc(C)c2c1CCC
InChIInChI=1S/C18H22F3N/c1-5-7-13-14(8-6-2)17(18(19,20)21)22-15-10-11(3)9-12(4)16(13)15/h9-10H,5-8H2,1-4H3
InChIKeyBYPATXVXPQCWSV-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.78
Rot. Bonds4

About 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline

5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline (PubChem CID 162414301) has the molecular formula C18H22F3N and a molecular weight of 309.38 g/mol. Its IUPAC name is 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline
PubChem CID162414301
Molecular FormulaC18H22F3N
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline
SMILESCCCc1c(C(F)(F)F)nc2cc(C)cc(C)c2c1CCC
InChIInChI=1S/C18H22F3N/c1-5-7-13-14(8-6-2)17(18(19,20)21)22-15-10-11(3)9-12(4)16(13)15/h9-10H,5-8H2,1-4H3
InChIKeyBYPATXVXPQCWSV-UHFFFAOYSA-N
XLogP5.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
CID 162414555
3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479608
(2-tert-butyl-5,7-dimethylquinolin-4-yl)methanethiol
CID 82448688
2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479443
N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448602
4-chloro-2-ethyl-3,5,7-trimethylquinoline
CID 63561497
ethane;6-methyl-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
CID 142917151
2-butyl-1,3,5-trimethylbenzene
CID 527298
4-methyl-2,6-dipropylpyridine
CID 13400495
4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
CID 125452574
1-(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-N-methylmethanamine
CID 82450873
[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744933

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline (CID 162414301) is 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline is CCCc1c(C(F)(F)F)nc2cc(C)cc(C)c2c1CCC.
What is the InChIKey of 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline?
The InChIKey is BYPATXVXPQCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N/c1-5-7-13-14(8-6-2)17(18(19,20)21)22-15-10-11(3)9-12(4)16(13)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline?
5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline has a molecular weight of 309.38 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 162414301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).