2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride

C18H21Cl3N2OS — CID 67870889

IUPAC2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
SMILESCN(C)CC1c2sccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H20Cl2N2OS.ClH/c1-21(2)11-16-18-13(6-8-24-18)5-7-22(16)17(23)10-12-3-4-14(19)15(20)9-12;/h3-4,6,8-9,16H,5,7,10-11H2,1-2H3;1H
InChIKeyVIGTZJDGWOYHGL-UHFFFAOYSA-N
MW419.81 g/mol
LogP4.71
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride

2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride (PubChem CID 67870889) has the molecular formula C18H21Cl3N2OS and a molecular weight of 419.81 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
PubChem CID67870889
Molecular FormulaC18H21Cl3N2OS
Molecular Weight419.81 g/mol
Exact Mass418.04
IUPAC Name2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
SMILESCN(C)CC1c2sccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H20Cl2N2OS.ClH/c1-21(2)11-16-18-13(6-8-24-18)5-7-22(16)17(23)10-12-3-4-14(19)15(20)9-12;/h3-4,6,8-9,16H,5,7,10-11H2,1-2H3;1H
InChIKeyVIGTZJDGWOYHGL-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride (CID 67870889) is 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride is CN(C)CC1c2sccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The InChIKey is VIGTZJDGWOYHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS.ClH/c1-21(2)11-16-18-13(6-8-24-18)5-7-22(16)17(23)10-12-3-4-14(19)15(20)9-12;/h3-4,6,8-9,16H,5,7,10-11H2,1-2H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride has a molecular weight of 419.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[7-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride is sourced from PubChem (CID 67870889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).