2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C18H24N4O — CID 136565538

IUPAC2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCc3ccc(C(C)C)cc3C2)nn1
InChIInChI=1S/C18H24N4O/c1-4-22-12-17(19-20-22)10-18(23)21-8-7-14-5-6-15(13(2)3)9-16(14)11-21/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3
InChIKeyHEVNDZAXTRPIOK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.55
Rot. Bonds4

About 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 136565538) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID136565538
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCc3ccc(C(C)C)cc3C2)nn1
InChIInChI=1S/C18H24N4O/c1-4-22-12-17(19-20-22)10-18(23)21-8-7-14-5-6-15(13(2)3)9-16(14)11-21/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3
InChIKeyHEVNDZAXTRPIOK-UHFFFAOYSA-N
XLogP2.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

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Related Compounds

1-(7-chloro-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyltriazol-4-yl)ethanone
CID 136565712
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110628029
2-(1-ethyltriazol-4-yl)-1-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylethanone
CID 136565732
1-[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
CID 82175702
1-[7-(1-hydroxypentyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
CID 82175706
tert-butyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84569944
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
1-[7-(1-aminopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 82175636
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
2,2-dimethyl-4-[2-methyl-4-oxo-4-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-yl]oxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 170732879
1-[7-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 82175648
N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 16943052

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 136565538) is 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is CCn1cc(CC(=O)N2CCc3ccc(C(C)C)cc3C2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is HEVNDZAXTRPIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22-12-17(19-20-22)10-18(23)21-8-7-14-5-6-15(13(2)3)9-16(14)11-21/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 136565538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).