2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one

C15H16N2O2S — CID 44600820

IUPAC2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1ccc2c(=O)[nH]c3sc(CN(C)C)cc3c2c1
InChIInChI=1S/C15H16N2O2S/c1-17(2)8-10-7-13-12-6-9(19-3)4-5-11(12)14(18)16-15(13)20-10/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyZCNMXVPYHHGBJJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.81
Rot. Bonds3

About 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one

2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 44600820) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID44600820
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1ccc2c(=O)[nH]c3sc(CN(C)C)cc3c2c1
InChIInChI=1S/C15H16N2O2S/c1-17(2)8-10-7-13-12-6-9(19-3)4-5-11(12)14(18)16-15(13)20-10/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyZCNMXVPYHHGBJJ-UHFFFAOYSA-N
XLogP2.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 58024740
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 161231673
8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368296
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
CID 4183341
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidinoacetamide
CID 2814368
2-((dimethylamino)methyl)-9-hydroxythieno(2,3-c)isoquinolin-5(4H)-one
CID 44537943
Art-IN-1
CID 162368334
N-{3-[(diethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-4-methoxybenzamide
CID 1548290
ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2814029
6-acetyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3418242

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 44600820) is 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is COc1ccc2c(=O)[nH]c3sc(CN(C)C)cc3c2c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is ZCNMXVPYHHGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17(2)8-10-7-13-12-6-9(19-3)4-5-11(12)14(18)16-15(13)20-10/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 288.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 44600820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).