2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C16H19Cl2NO2S — CID 21162131

IUPAC2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(C2CN(C)Cc3sc(Cl)cc32)cc1OC.Cl
InChIInChI=1S/C16H18ClNO2S.ClH/c1-18-8-12(11-7-16(17)21-15(11)9-18)10-4-5-13(19-2)14(6-10)20-3;/h4-7,12H,8-9H2,1-3H3;1H
InChIKeyZARAMJZQGBLYMG-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.42
Rot. Bonds3

About 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 21162131) has the molecular formula C16H19Cl2NO2S and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID21162131
Molecular FormulaC16H19Cl2NO2S
Molecular Weight360.31 g/mol
Exact Mass359.05
IUPAC Name2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(C2CN(C)Cc3sc(Cl)cc32)cc1OC.Cl
InChIInChI=1S/C16H18ClNO2S.ClH/c1-18-8-12(11-7-16(17)21-15(11)9-18)10-4-5-13(19-2)14(6-10)20-3;/h4-7,12H,8-9H2,1-3H3;1H
InChIKeyZARAMJZQGBLYMG-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 21162131) is 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is COc1ccc(C2CN(C)Cc3sc(Cl)cc32)cc1OC.Cl.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is ZARAMJZQGBLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S.ClH/c1-18-8-12(11-7-16(17)21-15(11)9-18)10-4-5-13(19-2)14(6-10)20-3;/h4-7,12H,8-9H2,1-3H3;1H.
What are the key properties of 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 360.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 21162131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).