but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

C21H25ClN2OS — CID 143897716

IUPACbut-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESC=CCC.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS.C4H8/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13;1-3-4-2/h5-9H,1-4H3;3H,1,4H2,2H3
InChIKeyMPUVSZGOLDQSDR-UHFFFAOYSA-N
MW388.96 g/mol
LogP7.03
Rot. Bonds4

About but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 143897716) has the molecular formula C21H25ClN2OS and a molecular weight of 388.96 g/mol. Its IUPAC name is but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namebut-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID143897716
Molecular FormulaC21H25ClN2OS
Molecular Weight388.96 g/mol
Exact Mass388.14
IUPAC Namebut-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESC=CCC.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS.C4H8/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13;1-3-4-2/h5-9H,1-4H3;3H,1,4H2,2H3
InChIKeyMPUVSZGOLDQSDR-UHFFFAOYSA-N
XLogP7.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.96
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

methyl (1R,2R,4S)-2-ethyl-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate
CID 129055540
trans-ethyl (1R,2S)-2-ethenyl-1-[[(2S,3S,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-3-methylpyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 68658568
ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole
CID 143401581
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
methyl 4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxylate
CID 123954642
(2S,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide
CID 66828811
methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 123708985
methyl 2-[2-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxycyclopentyl]acetate
CID 91506360
N-(2-ethenyl-1-methylcyclopropyl)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-(2-pent-4-enoxypropanoyl)pyrrolidine-2-carboxamide
CID 91010683
trans-(1R,2S)-2-ethenyl-1-[[(2S,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 67121971
(2S,4R)-N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidin-1-ium-2-carboxamide chloride
CID 158699114

Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 143897716) is but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is C=CCC.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is MPUVSZGOLDQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS.C4H8/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13;1-3-4-2/h5-9H,1-4H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 388.96 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 143897716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).