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

C20H21N3OS — CID 154762437

IUPAC2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCN(C)C1Cc2ccccc2N(C(=O)Cc2nsc3ccccc23)C1
InChIInChI=1S/C20H21N3OS/c1-22(2)15-11-14-7-3-5-9-18(14)23(13-15)20(24)12-17-16-8-4-6-10-19(16)25-21-17/h3-10,15H,11-13H2,1-2H3
InChIKeyBFCIKIKGGBMFEN-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.36
Rot. Bonds3

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

2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 154762437) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID154762437
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCN(C)C1Cc2ccccc2N(C(=O)Cc2nsc3ccccc23)C1
InChIInChI=1S/C20H21N3OS/c1-22(2)15-11-14-7-3-5-9-18(14)23(13-15)20(24)12-17-16-8-4-6-10-19(16)25-21-17/h3-10,15H,11-13H2,1-2H3
InChIKeyBFCIKIKGGBMFEN-UHFFFAOYSA-N
XLogP3.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 166200219
3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 95181357
3-[3-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 71877472
(1-tert-butyl-1,2,4-triazol-3-yl)-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 139005059
2-(1,2-benzothiazol-3-yl)-N-methylacetamide
CID 821850
3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 97060681
2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
CID 136548797
1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 95181355
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,2-benzothiazol-3-yl)acetamide
CID 10593164
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 154762437) is 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CN(C)C1Cc2ccccc2N(C(=O)Cc2nsc3ccccc23)C1.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is BFCIKIKGGBMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-22(2)15-11-14-7-3-5-9-18(14)23(13-15)20(24)12-17-16-8-4-6-10-19(16)25-21-17/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 351.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 154762437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).