1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone

C19H23N3O — CID 20892348

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCc2nn(CC(=O)N3CCc4ccccc4C3)cc2C1
InChIInChI=1S/C19H23N3O/c1-14-6-7-18-17(10-14)12-22(20-18)13-19(23)21-9-8-15-4-2-3-5-16(15)11-21/h2-5,12,14H,6-11,13H2,1H3
InChIKeyUSONAGVAFPKSAG-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.59
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone (PubChem CID 20892348) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
PubChem CID20892348
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCc2nn(CC(=O)N3CCc4ccccc4C3)cc2C1
InChIInChI=1S/C19H23N3O/c1-14-6-7-18-17(10-14)12-22(20-18)13-19(23)21-9-8-15-4-2-3-5-16(15)11-21/h2-5,12,14H,6-11,13H2,1H3
InChIKeyUSONAGVAFPKSAG-UHFFFAOYSA-N
XLogP2.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone (CID 20892348) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone is CC1CCc2nn(CC(=O)N3CCc4ccccc4C3)cc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The InChIKey is USONAGVAFPKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-6-7-18-17(10-14)12-22(20-18)13-19(23)21-9-8-15-4-2-3-5-16(15)11-21/h2-5,12,14H,6-11,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone is sourced from PubChem (CID 20892348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).