2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C22H26N6 — CID 126893638

IUPAC2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(N3CCN(c4ccccn4)CC3)C1)CCCC2
InChIInChI=1S/C22H26N6/c23-14-18-13-17-5-1-2-6-20(17)25-22(18)28-15-19(16-28)26-9-11-27(12-10-26)21-7-3-4-8-24-21/h3-4,7-8,13,19H,1-2,5-6,9-12,15-16H2
InChIKeyDXRAHFZMJVMLHG-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.24
Rot. Bonds3

About 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 126893638) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID126893638
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(N3CCN(c4ccccn4)CC3)C1)CCCC2
InChIInChI=1S/C22H26N6/c23-14-18-13-17-5-1-2-6-20(17)25-22(18)28-15-19(16-28)26-9-11-27(12-10-26)21-7-3-4-8-24-21/h3-4,7-8,13,19H,1-2,5-6,9-12,15-16H2
InChIKeyDXRAHFZMJVMLHG-UHFFFAOYSA-N
XLogP2.24
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 126893638) is 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CC(N3CCN(c4ccccn4)CC3)C1)CCCC2.
What is the InChIKey of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is DXRAHFZMJVMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c23-14-18-13-17-5-1-2-6-20(17)25-22(18)28-15-19(16-28)26-9-11-27(12-10-26)21-7-3-4-8-24-21/h3-4,7-8,13,19H,1-2,5-6,9-12,15-16H2.
What are the key properties of 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 374.49 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 126893638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).