4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole

C21H26N2OS — CID 58078434

IUPAC4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
SMILESCOc1ccc2c(C(C)C)cc(-c3csc(CC(C)C)n3)nc2c1C
InChIInChI=1S/C21H26N2OS/c1-12(2)9-20-22-18(11-25-20)17-10-16(13(3)4)15-7-8-19(24-6)14(5)21(15)23-17/h7-8,10-13H,9H2,1-6H3
InChIKeyHAISXBMLJSLYHS-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.00
Rot. Bonds5

About 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole

4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 58078434) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
PubChem CID58078434
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
SMILESCOc1ccc2c(C(C)C)cc(-c3csc(CC(C)C)n3)nc2c1C
InChIInChI=1S/C21H26N2OS/c1-12(2)9-20-22-18(11-25-20)17-10-16(13(3)4)15-7-8-19(24-6)14(5)21(15)23-17/h7-8,10-13H,9H2,1-6H3
InChIKeyHAISXBMLJSLYHS-UHFFFAOYSA-N
XLogP6.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole with MolForge

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Related Compounds

2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
CID 84567465
(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 102339435
2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 152754435
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 143897716
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 143934380
6-(4,7-dimethoxy-8-methylquinolin-2-yl)-N-propan-2-ylpyridin-2-amine
CID 70836068
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole (CID 58078434) is 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole is COc1ccc2c(C(C)C)cc(-c3csc(CC(C)C)n3)nc2c1C.
What is the InChIKey of 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is HAISXBMLJSLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-12(2)9-20-22-18(11-25-20)17-10-16(13(3)4)15-7-8-19(24-6)14(5)21(15)23-17/h7-8,10-13H,9H2,1-6H3.
What are the key properties of 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole?
4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 354.52 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 58078434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).