2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile

C19H19N3 — CID 167862713

IUPAC2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
SMILESN#Cc1cccc2c1CCN(Cc1cccc3c1NCC3)C2
InChIInChI=1S/C19H19N3/c20-11-15-4-2-5-16-12-22(10-8-18(15)16)13-17-6-1-3-14-7-9-21-19(14)17/h1-6,21H,7-10,12-13H2
InChIKeyWSAAWPXYAVOYLI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.08
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile

2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile (PubChem CID 167862713) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
PubChem CID167862713
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
SMILESN#Cc1cccc2c1CCN(Cc1cccc3c1NCC3)C2
InChIInChI=1S/C19H19N3/c20-11-15-4-2-5-16-12-22(10-8-18(15)16)13-17-6-1-3-14-7-9-21-19(14)17/h1-6,21H,7-10,12-13H2
InChIKeyWSAAWPXYAVOYLI-UHFFFAOYSA-N
XLogP3.08
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile (CID 167862713) is 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile is N#Cc1cccc2c1CCN(Cc1cccc3c1NCC3)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile?
The InChIKey is WSAAWPXYAVOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c20-11-15-4-2-5-16-12-22(10-8-18(15)16)13-17-6-1-3-14-7-9-21-19(14)17/h1-6,21H,7-10,12-13H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile?
2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile is sourced from PubChem (CID 167862713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).