7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride

C16H22ClNOS — CID 14151719

IUPAC7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride
SMILESCCCN1CCC=C2c3cccc(OC)c3SCC21.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-3-9-17-10-5-7-12-13-6-4-8-15(18-2)16(13)19-11-14(12)17;/h4,6-8,14H,3,5,9-11H2,1-2H3;1H
InChIKeyJPLNFRWFFWITOC-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.09
Rot. Bonds3

About 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride

7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride (PubChem CID 14151719) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride
PubChem CID14151719
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride
SMILESCCCN1CCC=C2c3cccc(OC)c3SCC21.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-3-9-17-10-5-7-12-13-6-4-8-15(18-2)16(13)19-11-14(12)17;/h4,6-8,14H,3,5,9-11H2,1-2H3;1H
InChIKeyJPLNFRWFFWITOC-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride (CID 14151719) is 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride is CCCN1CCC=C2c3cccc(OC)c3SCC21.Cl.
What is the InChIKey of 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is JPLNFRWFFWITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS.ClH/c1-3-9-17-10-5-7-12-13-6-4-8-15(18-2)16(13)19-11-14(12)17;/h4,6-8,14H,3,5,9-11H2,1-2H3;1H.
What are the key properties of 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride?
7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 14151719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).