2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline

C18H19N3 — CID 140984606

IUPAC2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCn1ncc3ccccc31)C2
InChIInChI=1S/C18H19N3/c1-2-7-17-14-20(10-9-15(17)5-1)11-12-21-18-8-4-3-6-16(18)13-19-21/h1-8,13H,9-12,14H2
InChIKeyKDYJLFNUIQKKOS-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline

2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 140984606) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID140984606
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCn1ncc3ccccc31)C2
InChIInChI=1S/C18H19N3/c1-2-7-17-14-20(10-9-15(17)5-1)11-12-21-18-8-4-3-6-16(18)13-19-21/h1-8,13H,9-12,14H2
InChIKeyKDYJLFNUIQKKOS-UHFFFAOYSA-N
XLogP3.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline
CID 10732340
1-propylindazole
CID 18695497
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824
1-(4-chlorobutyl)indazole
CID 62140548
1-[2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]indazole
CID 28853306
4-indazol-1-ylbutan-1-ol
CID 62142094
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 75538330
1-(2-indazol-1-ylethyl)cyclopropan-1-amine
CID 84670209
3-indazol-1-ylpropanoic acid
CID 805922
2-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 901226

Frequently Asked Questions

What is the IUPAC name of 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline (CID 140984606) is 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CCn1ncc3ccccc31)C2.
What is the InChIKey of 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is KDYJLFNUIQKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-7-17-14-20(10-9-15(17)5-1)11-12-21-18-8-4-3-6-16(18)13-19-21/h1-8,13H,9-12,14H2.
What are the key properties of 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 140984606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).