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

C21H20N2O3S — CID 36653262

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCCc4ccccc43)cs2)c1OC
InChIInChI=1S/C21H20N2O3S/c1-25-18-11-5-9-15(19(18)26-2)20-22-16(13-27-20)21(24)23-12-6-8-14-7-3-4-10-17(14)23/h3-5,7,9-11,13H,6,8,12H2,1-2H3
InChIKeyBIJQERDHQARLAS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.42
Rot. Bonds4

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

3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 36653262) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID36653262
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCCc4ccccc43)cs2)c1OC
InChIInChI=1S/C21H20N2O3S/c1-25-18-11-5-9-15(19(18)26-2)20-22-16(13-27-20)21(24)23-12-6-8-14-7-3-4-10-17(14)23/h3-5,7,9-11,13H,6,8,12H2,1-2H3
InChIKeyBIJQERDHQARLAS-UHFFFAOYSA-N
XLogP4.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1183918
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
(4-chloro-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 68684537
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
CID 51078085
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 36653262) is 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1cccc(-c2nc(C(=O)N3CCCc4ccccc43)cs2)c1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is BIJQERDHQARLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-25-18-11-5-9-15(19(18)26-2)20-22-16(13-27-20)21(24)23-12-6-8-14-7-3-4-10-17(14)23/h3-5,7,9-11,13H,6,8,12H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 36653262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).