7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C15H15ClN2O — CID 167432009

IUPAC7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(COc2ccc3c(c2)CNCC3)nc1
InChIInChI=1S/C15H15ClN2O/c16-13-2-3-14(18-9-13)10-19-15-4-1-11-5-6-17-8-12(11)7-15/h1-4,7,9,17H,5-6,8,10H2
InChIKeyWHVSTFPWXLWAFO-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.96
Rot. Bonds3

About 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 167432009) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID167432009
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(COc2ccc3c(c2)CNCC3)nc1
InChIInChI=1S/C15H15ClN2O/c16-13-2-3-14(18-9-13)10-19-15-4-1-11-5-6-17-8-12(11)7-15/h1-4,7,9,17H,5-6,8,10H2
InChIKeyWHVSTFPWXLWAFO-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 178142063
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
4-[(5-bromo-2-pyridinyl)methoxy]-1-[2,2-difluoro-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]pyridin-2-one
CID 68893111
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridine
CID 79241095
5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine
CID 58269468

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 167432009) is 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is Clc1ccc(COc2ccc3c(c2)CNCC3)nc1.
What is the InChIKey of 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WHVSTFPWXLWAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-2-3-14(18-9-13)10-19-15-4-1-11-5-6-17-8-12(11)7-15/h1-4,7,9,17H,5-6,8,10H2.
What are the key properties of 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 167432009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).