2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H17N3 — CID 62232170

IUPAC2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1Cc3ccccc3C1)CCCC2
InChIInChI=1S/C18H17N3/c19-10-16-9-13-5-3-4-8-17(13)20-18(16)21-11-14-6-1-2-7-15(14)12-21/h1-2,6-7,9H,3-5,8,11-12H2
InChIKeyQXIQIWNOZTZODE-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.35
Rot. Bonds1

About 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 62232170) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID62232170
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1Cc3ccccc3C1)CCCC2
InChIInChI=1S/C18H17N3/c19-10-16-9-13-5-3-4-8-17(13)20-18(16)21-11-14-6-1-2-7-15(14)12-21/h1-2,6-7,9H,3-5,8,11-12H2
InChIKeyQXIQIWNOZTZODE-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 62232170) is 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1Cc3ccccc3C1)CCCC2.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is QXIQIWNOZTZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-10-16-9-13-5-3-4-8-17(13)20-18(16)21-11-14-6-1-2-7-15(14)12-21/h1-2,6-7,9H,3-5,8,11-12H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 62232170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).