4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

C16H15F3N2 — CID 175753798

IUPAC4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21
InChIInChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3
InChIKeyHVINNHPPCLFTEC-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.22
Rot. Bonds1

About 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 175753798) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID175753798
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21
InChIInChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3
InChIKeyHVINNHPPCLFTEC-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
CID 123756396
2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-7-yl)ethanone
CID 157187178
2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1-(4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-7-yl)ethanone
CID 157144355
2-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)phenyl]-1-(4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-7-yl)ethanone
CID 158224525
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
CID 146303389
3-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-7-yl)-5-(trifluoromethyl)benzamide
CID 130364455
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457310
2-(3-amino-3-oxopropyl)-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164526200
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 175783048

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 175753798) is 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is CC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is HVINNHPPCLFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 292.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175753798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).