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

C16H17NO3S — CID 142686728

IUPAC(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1cccc(COC(=O)N2CCc3ccsc3C2)c1
InChIInChI=1S/C16H17NO3S/c1-19-14-4-2-3-12(9-14)11-20-16(18)17-7-5-13-6-8-21-15(13)10-17/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKeyRQVPBJUQSIUIJB-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.45
Rot. Bonds3

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

(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686728) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686728
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1cccc(COC(=O)N2CCc3ccsc3C2)c1
InChIInChI=1S/C16H17NO3S/c1-19-14-4-2-3-12(9-14)11-20-16(18)17-7-5-13-6-8-21-15(13)10-17/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKeyRQVPBJUQSIUIJB-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
CID 167465187
(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686727
benzyl 8-methoxy-5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 171988343
2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686755
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
pyridin-3-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11857439
(3-fluorophenyl)methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66653977
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686707
6-methoxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 146564820

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686728) is (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is COc1cccc(COC(=O)N2CCc3ccsc3C2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is RQVPBJUQSIUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-14-4-2-3-12(9-14)11-20-16(18)17-7-5-13-6-8-21-15(13)10-17/h2-4,6,8-9H,5,7,10-11H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).