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

C21H22N2OS — CID 10948106

IUPAC5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12
InChIInChI=1S/C21H22N2OS/c1-14-9-10-16-18(13-14)25-20-19(16)15-7-4-5-8-17(15)23(21(20)24)12-6-11-22(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNNSSEUMRYLEBBM-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.63
Rot. Bonds4

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

5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 10948106) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID10948106
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12
InChIInChI=1S/C21H22N2OS/c1-14-9-10-16-18(13-14)25-20-19(16)15-7-4-5-8-17(15)23(21(20)24)12-6-11-22(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNNSSEUMRYLEBBM-UHFFFAOYSA-N
XLogP4.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one with MolForge

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Related Compounds

N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361
4-(1-Benzothien-3-ylcarbonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 2932638
N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 11671674
1-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 66884891
2-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 66885601
1-(1-Benzothien-3-ylcarbonyl)-4-(2,5-dimethylphenyl)piperazine
CID 995502
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide
CID 5308769
N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6622955
5-Ethyl-2-(4-methylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 9550465

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one (CID 10948106) is 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one is Cc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is NNSSEUMRYLEBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-14-9-10-16-18(13-14)25-20-19(16)15-7-4-5-8-17(15)23(21(20)24)12-6-11-22(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one?
5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 350.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-9-methyl-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 10948106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).