2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline

C15H18F3N — CID 162619395

IUPAC2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
SMILESC=C1CC(C(F)(F)F)=CC2=C1CC(C(C)C)C(C)=N2
InChIInChI=1S/C15H18F3N/c1-8(2)12-7-13-9(3)5-11(15(16,17)18)6-14(13)19-10(12)4/h6,8,12H,3,5,7H2,1-2,4H3
InChIKeyILVRRDWLBFVDMM-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.83
Rot. Bonds1

About 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline

2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline (PubChem CID 162619395) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline.

Molecular Properties

Compound Name2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
PubChem CID162619395
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
SMILESC=C1CC(C(F)(F)F)=CC2=C1CC(C(C)C)C(C)=N2
InChIInChI=1S/C15H18F3N/c1-8(2)12-7-13-9(3)5-11(15(16,17)18)6-14(13)19-10(12)4/h6,8,12H,3,5,7H2,1-2,4H3
InChIKeyILVRRDWLBFVDMM-UHFFFAOYSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline?
The IUPAC name of 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline (CID 162619395) is 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline.
What is the SMILES notation for 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline?
The canonical SMILES for 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline is C=C1CC(C(F)(F)F)=CC2=C1CC(C(C)C)C(C)=N2.
What is the InChIKey of 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline?
The InChIKey is ILVRRDWLBFVDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c1-8(2)12-7-13-9(3)5-11(15(16,17)18)6-14(13)19-10(12)4/h6,8,12H,3,5,7H2,1-2,4H3.
What are the key properties of 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline?
2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline has a molecular weight of 269.31 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline is sourced from PubChem (CID 162619395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).