2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

C15H15ClN2O — CID 118205484

IUPAC2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(OCc2ccccn2)c2c(n1)CCCC2
InChIInChI=1S/C15H15ClN2O/c16-15-9-14(12-6-1-2-7-13(12)18-15)19-10-11-5-3-4-8-17-11/h3-5,8-9H,1-2,6-7,10H2
InChIKeyYYQLLGABKOGFAS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205484) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205484
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(OCc2ccccn2)c2c(n1)CCCC2
InChIInChI=1S/C15H15ClN2O/c16-15-9-14(12-6-1-2-7-13(12)18-15)19-10-11-5-3-4-8-17-11/h3-5,8-9H,1-2,6-7,10H2
InChIKeyYYQLLGABKOGFAS-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205484) is 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Clc1cc(OCc2ccccn2)c2c(n1)CCCC2.
What is the InChIKey of 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is YYQLLGABKOGFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-15-9-14(12-6-1-2-7-13(12)18-15)19-10-11-5-3-4-8-17-11/h3-5,8-9H,1-2,6-7,10H2.
What are the key properties of 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 274.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).