methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

C21H18N2O3S — CID 94615225

IUPACmethyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N2O3S/c1-26-21(25)16-9-5-11-18-15(16)10-6-12-23(18)20(24)17-13-27-19(22-17)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10,12H2,1H3
InChIKeyMGOBVQGYKVZKBC-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.19
Rot. Bonds3

About methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 94615225) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID94615225
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Namemethyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N2O3S/c1-26-21(25)16-9-5-11-18-15(16)10-6-12-23(18)20(24)17-13-27-19(22-17)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10,12H2,1H3
InChIKeyMGOBVQGYKVZKBC-UHFFFAOYSA-N
XLogP4.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033484
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 55915411
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 75466524
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134052980
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 42890375
1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60708488
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (CID 94615225) is methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is MGOBVQGYKVZKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-21(25)16-9-5-11-18-15(16)10-6-12-23(18)20(24)17-13-27-19(22-17)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10,12H2,1H3.
What are the key properties of methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 94615225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).