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

C19H21N3 — CID 10732340

IUPAC2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCCn1ncc3ccccc31)C2
InChIInChI=1S/C19H21N3/c1-2-8-18-15-21(13-10-16(18)6-1)11-5-12-22-19-9-4-3-7-17(19)14-20-22/h1-4,6-9,14H,5,10-13,15H2
InChIKeyVLVQASDSMGSESO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.48
Rot. Bonds4

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

2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10732340) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID10732340
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCCn1ncc3ccccc31)C2
InChIInChI=1S/C19H21N3/c1-2-8-18-15-21(13-10-16(18)6-1)11-5-12-22-19-9-4-3-7-17(19)14-20-22/h1-4,6-9,14H,5,10-13,15H2
InChIKeyVLVQASDSMGSESO-UHFFFAOYSA-N
XLogP3.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-indazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 140984606
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-(4-chlorobutyl)indazole
CID 62140548
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
4-indazol-1-ylbutan-1-ol
CID 62142094
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
CID 19914595
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-(3-isocyanopropyl)-3,4-dihydro-1H-isoquinoline
CID 3340858
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824

Frequently Asked Questions

What is the IUPAC name of 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline (CID 10732340) is 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CCCn1ncc3ccccc31)C2.
What is the InChIKey of 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is VLVQASDSMGSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-8-18-15-21(13-10-16(18)6-1)11-5-12-22-19-9-4-3-7-17(19)14-20-22/h1-4,6-9,14H,5,10-13,15H2.
What are the key properties of 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline?
2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 291.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10732340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).