7-methyl-4-phenyl-2-(trifluoromethyl)quinoline

C17H12F3N — CID 15213749

IUPAC7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2c(-c3ccccc3)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C17H12F3N/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17(18,19)20)21-15(13)9-11/h2-10H,1H3
InChIKeyCRJWPYUCAKNJMK-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.23
Rot. Bonds1

About 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline

7-methyl-4-phenyl-2-(trifluoromethyl)quinoline (PubChem CID 15213749) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
PubChem CID15213749
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2c(-c3ccccc3)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C17H12F3N/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17(18,19)20)21-15(13)9-11/h2-10H,1H3
InChIKeyCRJWPYUCAKNJMK-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-2,4-diphenylquinoline
CID 13048584
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
7-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947251
N,N,7-trimethyl-4-phenylquinolin-2-amine
CID 164669711
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
CID 164677987
4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
CID 71121660
2-(4-phenylquinolin-2-yl)propane-2-thiol
CID 156541740
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid
CID 75486024

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline (CID 15213749) is 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline is Cc1ccc2c(-c3ccccc3)cc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline?
The InChIKey is CRJWPYUCAKNJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17(18,19)20)21-15(13)9-11/h2-10H,1H3.
What are the key properties of 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline?
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline has a molecular weight of 287.28 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 15213749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).