[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C21H20N2O2S — CID 9488476

IUPAC[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-6-7-16-4-2-3-5-20(16)23(15)21(24)17-8-10-19(11-9-17)25-12-18-13-26-14-22-18/h2-5,8-11,13-15H,6-7,12H2,1H3/t15-/m1/s1
InChIKeyCUGACMOTXCLCAY-OAHLLOKOSA-N
MW364.47 g/mol
LogP4.70
Rot. Bonds4

About [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 9488476) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID9488476
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-6-7-16-4-2-3-5-20(16)23(15)21(24)17-8-10-19(11-9-17)25-12-18-13-26-14-22-18/h2-5,8-11,13-15H,6-7,12H2,1H3/t15-/m1/s1
InChIKeyCUGACMOTXCLCAY-OAHLLOKOSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86936536
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 41022826
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26738355
(5Z)-5-[[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 9488439
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
CID 28578257
N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid
CID 143124394
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 9488476) is [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is CUGACMOTXCLCAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-6-7-16-4-2-3-5-20(16)23(15)21(24)17-8-10-19(11-9-17)25-12-18-13-26-14-22-18/h2-5,8-11,13-15H,6-7,12H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 364.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 9488476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).