(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone

C20H17BrN2O2S — CID 55915411

IUPAC(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCc4cc(Br)ccc43)cs2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-25-16-7-4-13(5-8-16)19-22-17(12-26-19)20(24)23-10-2-3-14-11-15(21)6-9-18(14)23/h4-9,11-12H,2-3,10H2,1H3
InChIKeyGDZBGRHJKNVKNC-UHFFFAOYSA-N
MW429.34 g/mol
LogP5.17
Rot. Bonds3

About (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone

(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 55915411) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID55915411
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCc4cc(Br)ccc43)cs2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-25-16-7-4-13(5-8-16)19-22-17(12-26-19)20(24)23-10-2-3-14-11-15(21)6-9-18(14)23/h4-9,11-12H,2-3,10H2,1H3
InChIKeyGDZBGRHJKNVKNC-UHFFFAOYSA-N
XLogP5.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60701144
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 55915411) is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1ccc(-c2nc(C(=O)N3CCCc4cc(Br)ccc43)cs2)cc1.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is GDZBGRHJKNVKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-25-16-7-4-13(5-8-16)19-22-17(12-26-19)20(24)23-10-2-3-14-11-15(21)6-9-18(14)23/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 429.34 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 55915411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).