1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

C22H24N2O2S — CID 118306195

IUPAC1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCOc1c(-c2nc3ccccc3s2)ccc2c1CCC(C)N2C(C)=O
InChIInChI=1S/C22H24N2O2S/c1-4-13-26-21-16-10-9-14(2)24(15(3)25)19(16)12-11-17(21)22-23-18-7-5-6-8-20(18)27-22/h5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeyWYRLFWQPXSEHLL-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.44
Rot. Bonds4

About 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118306195) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118306195
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCOc1c(-c2nc3ccccc3s2)ccc2c1CCC(C)N2C(C)=O
InChIInChI=1S/C22H24N2O2S/c1-4-13-26-21-16-10-9-14(2)24(15(3)25)19(16)12-11-17(21)22-23-18-7-5-6-8-20(18)27-22/h5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeyWYRLFWQPXSEHLL-UHFFFAOYSA-N
XLogP5.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
4-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
CID 118305996
1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 135277705
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-pyrrolidin-3-ylethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123537334
1-[(2S)-5-(cyclohexylmethoxy)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118076338
cyclopropyl-[(2S)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075571
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-propoxybenzamide
CID 3358025
1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-5-[(3-fluorooxetan-3-yl)methoxy]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075883
[2-(1,3-benzothiazol-2-yl)phenyl] 2,2-dimethylbutanoate
CID 58291241
1-[5-cyclopentyloxy-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123768060
1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123709016

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118306195) is 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCCOc1c(-c2nc3ccccc3s2)ccc2c1CCC(C)N2C(C)=O.
What is the InChIKey of 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is WYRLFWQPXSEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-4-13-26-21-16-10-9-14(2)24(15(3)25)19(16)12-11-17(21)22-23-18-7-5-6-8-20(18)27-22/h5-8,11-12,14H,4,9-10,13H2,1-3H3.
What are the key properties of 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 380.51 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-benzothiazol-2-yl)-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118306195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).