1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline

C16H15F3N2 — CID 75398516

IUPAC1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)c1cccnc1CN1CCCc2ccccc21
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-7-3-9-20-14(13)11-21-10-4-6-12-5-1-2-8-15(12)21/h1-3,5,7-9H,4,6,10-11H2
InChIKeyYAMZBCSQCLADHJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.05
Rot. Bonds2

About 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline

1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline (PubChem CID 75398516) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline
PubChem CID75398516
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)c1cccnc1CN1CCCc2ccccc21
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-7-3-9-20-14(13)11-21-10-4-6-12-5-1-2-8-15(12)21/h1-3,5,7-9H,4,6,10-11H2
InChIKeyYAMZBCSQCLADHJ-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 62471565
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 112820602
1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
CID 62470174
1-[(4-chloro-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 79255924
6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 78860791
1-[(4,6-dichloro-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 116519024
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 63462245
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856
3-(2,3-dihydroindol-1-ylmethyl)-N-methylpyridin-2-amine
CID 55075498
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline (CID 75398516) is 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline is FC(F)(F)c1cccnc1CN1CCCc2ccccc21.
What is the InChIKey of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is YAMZBCSQCLADHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)13-7-3-9-20-14(13)11-21-10-4-6-12-5-1-2-8-15(12)21/h1-3,5,7-9H,4,6,10-11H2.
What are the key properties of 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline?
1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 292.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 75398516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).