2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline

C21H18F3N3O — CID 66804007

IUPAC2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccncc1N1CCc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2C1
InChIInChI=1S/C21H18F3N3O/c1-14-4-7-25-12-19(14)27-9-6-15-2-3-18(10-16(15)13-27)28-20-11-17(5-8-26-20)21(22,23)24/h2-5,7-8,10-12H,6,9,13H2,1H3
InChIKeyPJSGXXIXGQMVRF-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.16
Rot. Bonds3

About 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline

2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline (PubChem CID 66804007) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline
PubChem CID66804007
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccncc1N1CCc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2C1
InChIInChI=1S/C21H18F3N3O/c1-14-4-7-25-12-19(14)27-9-6-15-2-3-18(10-16(15)13-27)28-20-11-17(5-8-26-20)21(22,23)24/h2-5,7-8,10-12H,6,9,13H2,1H3
InChIKeyPJSGXXIXGQMVRF-UHFFFAOYSA-N
XLogP5.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
6-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2800167
7-((1-Isopropylpiperidin-4-yl)methoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982036
2-Methyl-4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983453
4-(2-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983454
4-(4-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983459
4-(4-Methoxyphenyl)-2-methyl-7-(3-morpholinopropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983576
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
4-(4-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983703
N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967634
4-(4-Methoxyphenyl)-2-methyl-7-(3-(4-(pyridin-4-yl)piperazin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44430380
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline (CID 66804007) is 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline is Cc1ccncc1N1CCc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2C1.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PJSGXXIXGQMVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-14-4-7-25-12-19(14)27-9-6-15-2-3-18(10-16(15)13-27)28-20-11-17(5-8-26-20)21(22,23)24/h2-5,7-8,10-12H,6,9,13H2,1H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline?
2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline has a molecular weight of 385.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 66804007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).