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

C17H21NO3S — CID 13341656

IUPAC5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(CN2CCc3sccc3C2)c(OC)c1OC
InChIInChI=1S/C17H21NO3S/c1-19-14-5-4-13(16(20-2)17(14)21-3)11-18-8-6-15-12(10-18)7-9-22-15/h4-5,7,9H,6,8,10-11H2,1-3H3
InChIKeyKQRQNOXFZRQYDD-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.33
Rot. Bonds5

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

5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 13341656) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID13341656
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(CN2CCc3sccc3C2)c(OC)c1OC
InChIInChI=1S/C17H21NO3S/c1-19-14-5-4-13(16(20-2)17(14)21-3)11-18-8-6-15-12(10-18)7-9-22-15/h4-5,7,9H,6,8,10-11H2,1-3H3
InChIKeyKQRQNOXFZRQYDD-UHFFFAOYSA-N
XLogP3.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
2-thiophen-2-yl-6-[(2,3,4-trimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916565
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorophenyl]methanamine
CID 63288847
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]-N-methylethanamine
CID 115463479

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 13341656) is 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1ccc(CN2CCc3sccc3C2)c(OC)c1OC.
What is the InChIKey of 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is KQRQNOXFZRQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-19-14-5-4-13(16(20-2)17(14)21-3)11-18-8-6-15-12(10-18)7-9-22-15/h4-5,7,9H,6,8,10-11H2,1-3H3.
What are the key properties of 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 319.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 13341656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).