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

C16H20ClNO2S — CID 54583693

IUPAC4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(C2CN(C)Cc3sccc32)cc1OC.Cl
InChIInChI=1S/C16H19NO2S.ClH/c1-17-9-13(12-6-7-20-16(12)10-17)11-4-5-14(18-2)15(8-11)19-3;/h4-8,13H,9-10H2,1-3H3;1H
InChIKeyMPOFGHUFWLIUFC-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.76
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54583693) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54583693
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(C2CN(C)Cc3sccc32)cc1OC.Cl
InChIInChI=1S/C16H19NO2S.ClH/c1-17-9-13(12-6-7-20-16(12)10-17)11-4-5-14(18-2)15(8-11)19-3;/h4-8,13H,9-10H2,1-3H3;1H
InChIKeyMPOFGHUFWLIUFC-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54583693) is 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is COc1ccc(C2CN(C)Cc3sccc32)cc1OC.Cl.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is MPOFGHUFWLIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S.ClH/c1-17-9-13(12-6-7-20-16(12)10-17)11-4-5-14(18-2)15(8-11)19-3;/h4-8,13H,9-10H2,1-3H3;1H.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54583693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).