5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one

C21H22N2O2S — CID 10428987

IUPAC5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12
InChIInChI=1S/C21H22N2O2S/c1-22(2)11-6-12-23-17-8-5-4-7-15(17)19-16-10-9-14(25-3)13-18(16)26-20(19)21(23)24/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeySABOJOLILJGHDI-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.33
Rot. Bonds5

About 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one

5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 10428987) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID10428987
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12
InChIInChI=1S/C21H22N2O2S/c1-22(2)11-6-12-23-17-8-5-4-7-15(17)19-16-10-9-14(25-3)13-18(16)26-20(19)21(23)24/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeySABOJOLILJGHDI-UHFFFAOYSA-N
XLogP4.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-2-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 11978936
3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 5091486
7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-2-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 11978937
5-Ethyl-N-(2-methoxy-5-methylphenyl)-N-methyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16193861
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6622403
Methyl 5-[3-(dimethylamino)propyl]-6-oxo-[1]benzothiolo[2,3-c]quinoline-9-carboxylate
CID 10250037
N-(2-Ethoxyphenyl)-N,5-diethyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16008755
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16008956
5-Ethyl-N-(2-methoxyphenyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16188070
1-(1-Benzothien-3-ylcarbonyl)-4-(4-methoxyphenyl)piperazine
CID 1294110
(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2796536

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one (CID 10428987) is 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one is COc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is SABOJOLILJGHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-22(2)11-6-12-23-17-8-5-4-7-15(17)19-16-10-9-14(25-3)13-18(16)26-20(19)21(23)24/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one?
5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 366.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 10428987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).