1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H18N2O2S — CID 139802843

IUPAC1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2ccc(OCc3nc4ccccc4s3)cc21
InChIInChI=1S/C19H18N2O2S/c1-13(22)21-10-4-5-14-8-9-15(11-17(14)21)23-12-19-20-16-6-2-3-7-18(16)24-19/h2-3,6-9,11H,4-5,10,12H2,1H3
InChIKeyNEOYLDYVBSLNQS-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.17
Rot. Bonds3

About 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 139802843) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID139802843
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2ccc(OCc3nc4ccccc4s3)cc21
InChIInChI=1S/C19H18N2O2S/c1-13(22)21-10-4-5-14-8-9-15(11-17(14)21)23-12-19-20-16-6-2-3-7-18(16)24-19/h2-3,6-9,11H,4-5,10,12H2,1H3
InChIKeyNEOYLDYVBSLNQS-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

5-(1,3-benzothiazol-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 104986102
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
1-[2-acetyl-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]ethanone
CID 155355496
tert-butyl 5-(1,3-benzothiazol-2-ylmethoxy)-2-methylindole-1-carboxylate
CID 54415923
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 30494500
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[7-[(3,5-dimethylpiperazin-1-yl)methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22711893
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
CID 32645878

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 139802843) is 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2ccc(OCc3nc4ccccc4s3)cc21.
What is the InChIKey of 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is NEOYLDYVBSLNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(22)21-10-4-5-14-8-9-15(11-17(14)21)23-12-19-20-16-6-2-3-7-18(16)24-19/h2-3,6-9,11H,4-5,10,12H2,1H3.
What are the key properties of 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 338.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 139802843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).