3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride

C20H18ClN5O — CID 118205334

IUPAC3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1nccnc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17N5O.ClH/c21-12-18-20(24-10-9-23-18)16-11-19(25-17-7-2-1-6-15(16)17)26-13-14-5-3-4-8-22-14;/h3-5,8-11H,1-2,6-7,13H2;1H
InChIKeyARKWTFHTZSBWBY-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.68
Rot. Bonds4

About 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride

3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride (PubChem CID 118205334) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
PubChem CID118205334
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1nccnc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17N5O.ClH/c21-12-18-20(24-10-9-23-18)16-11-19(25-17-7-2-1-6-15(16)17)26-13-14-5-3-4-8-22-14;/h3-5,8-11H,1-2,6-7,13H2;1H
InChIKeyARKWTFHTZSBWBY-UHFFFAOYSA-N
XLogP3.68
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride?
The IUPAC name of 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride (CID 118205334) is 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride?
The canonical SMILES for 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride is Cl.N#Cc1nccnc1-c1cc(OCc2ccccn2)nc2c1CCCC2.
What is the InChIKey of 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride?
The InChIKey is ARKWTFHTZSBWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.ClH/c21-12-18-20(24-10-9-23-18)16-11-19(25-17-7-2-1-6-15(16)17)26-13-14-5-3-4-8-22-14;/h3-5,8-11H,1-2,6-7,13H2;1H.
What are the key properties of 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride?
3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 118205334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).