4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride

C21H22ClN3O — CID 118290518

IUPAC4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2.Cl
InChIInChI=1S/C21H21N3O.ClH/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16;/h4-7,9,11-13H,2-3,8,10,14H2,1H3;1H
InChIKeyKCTLYYPNAZGCSD-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.73
Rot. Bonds4

About 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride

4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 118290518) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID118290518
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2.Cl
InChIInChI=1S/C21H21N3O.ClH/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16;/h4-7,9,11-13H,2-3,8,10,14H2,1H3;1H
InChIKeyKCTLYYPNAZGCSD-UHFFFAOYSA-N
XLogP4.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 118290518) is 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride is Cc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2.Cl.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is KCTLYYPNAZGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.ClH/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16;/h4-7,9,11-13H,2-3,8,10,14H2,1H3;1H.
What are the key properties of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride?
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 118290518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).