7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane

C19H18F3N — CID 161419030

IUPAC7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane
SMILESC.Cc1cc(C(F)(F)F)c2ccc(Cc3ccccc3)cc2n1
InChIInChI=1S/C18H14F3N.CH4/c1-12-9-16(18(19,20)21)15-8-7-14(11-17(15)22-12)10-13-5-3-2-4-6-13;/h2-9,11H,10H2,1H3;1H4
InChIKeyVWLYUJWWKMXAFS-UHFFFAOYSA-N
MW317.35 g/mol
LogP5.79
Rot. Bonds2

About 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane

7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane (PubChem CID 161419030) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane.

Molecular Properties

Compound Name7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane
PubChem CID161419030
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane
SMILESC.Cc1cc(C(F)(F)F)c2ccc(Cc3ccccc3)cc2n1
InChIInChI=1S/C18H14F3N.CH4/c1-12-9-16(18(19,20)21)15-8-7-14(11-17(15)22-12)10-13-5-3-2-4-6-13;/h2-9,11H,10H2,1H3;1H4
InChIKeyVWLYUJWWKMXAFS-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane?
The IUPAC name of 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane (CID 161419030) is 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane.
What is the SMILES notation for 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane?
The canonical SMILES for 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane is C.Cc1cc(C(F)(F)F)c2ccc(Cc3ccccc3)cc2n1.
What is the InChIKey of 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane?
The InChIKey is VWLYUJWWKMXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N.CH4/c1-12-9-16(18(19,20)21)15-8-7-14(11-17(15)22-12)10-13-5-3-2-4-6-13;/h2-9,11H,10H2,1H3;1H4.
What are the key properties of 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane?
7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane has a molecular weight of 317.35 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-methyl-4-(trifluoromethyl)quinoline;methane is sourced from PubChem (CID 161419030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).