3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one

C18H15NO4S — CID 175651657

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one
SMILESCOc1ccc2c(=O)oc(C(=O)N3CCc4sccc4C3)cc2c1
InChIInChI=1S/C18H15NO4S/c1-22-13-2-3-14-12(8-13)9-15(23-18(14)21)17(20)19-6-4-16-11(10-19)5-7-24-16/h2-3,5,7-9H,4,6,10H2,1H3
InChIKeyXNADLBZBDVNOTN-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.06
Rot. Bonds2

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one (PubChem CID 175651657) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one
PubChem CID175651657
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one
SMILESCOc1ccc2c(=O)oc(C(=O)N3CCc4sccc4C3)cc2c1
InChIInChI=1S/C18H15NO4S/c1-22-13-2-3-14-12(8-13)9-15(23-18(14)21)17(20)19-6-4-16-11(10-19)5-7-24-16/h2-3,5,7-9H,4,6,10H2,1H3
InChIKeyXNADLBZBDVNOTN-UHFFFAOYSA-N
XLogP3.06
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51318737
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 42508957
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 30454912
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one (CID 175651657) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one is COc1ccc2c(=O)oc(C(=O)N3CCc4sccc4C3)cc2c1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one?
The InChIKey is XNADLBZBDVNOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-22-13-2-3-14-12(8-13)9-15(23-18(14)21)17(20)19-6-4-16-11(10-19)5-7-24-16/h2-3,5,7-9H,4,6,10H2,1H3.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one has a molecular weight of 341.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one is sourced from PubChem (CID 175651657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).