4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole

C17H17IN2OS — CID 143844716

IUPAC4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3csc(C(C)C)n3)cc(I)c2c1
InChIInChI=1S/C17H17IN2OS/c1-9(2)17-20-15(8-22-17)14-7-13(18)12-6-11(21-4)5-10(3)16(12)19-14/h5-9H,1-4H3
InChIKeyJIGKAQNDYMKQHO-UHFFFAOYSA-N
MW424.31 g/mol
LogP5.40
Rot. Bonds3

About 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole

4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 143844716) has the molecular formula C17H17IN2OS and a molecular weight of 424.31 g/mol. Its IUPAC name is 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID143844716
Molecular FormulaC17H17IN2OS
Molecular Weight424.31 g/mol
Exact Mass424.01
IUPAC Name4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3csc(C(C)C)n3)cc(I)c2c1
InChIInChI=1S/C17H17IN2OS/c1-9(2)17-20-15(8-22-17)14-7-13(18)12-6-11(21-4)5-10(3)16(12)19-14/h5-9H,1-4H3
InChIKeyJIGKAQNDYMKQHO-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
CID 91438319
8-bromo-4-iodo-6-methoxy-2-methylquinoline
CID 167314251
N-ethyl-6-methoxy-8-methyl-2-propan-2-ylquinolin-4-amine
CID 55196924
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 71741582
2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 91274831
4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
CID 58078434
3,7-diiodo-5-methoxy-1-benzothiophene
CID 130866328
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578
(2-ethyl-6-methoxy-8-methylquinolin-4-yl)hydrazine
CID 62872832
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole (CID 143844716) is 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole is COc1cc(C)c2nc(-c3csc(C(C)C)n3)cc(I)c2c1.
What is the InChIKey of 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is JIGKAQNDYMKQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2OS/c1-9(2)17-20-15(8-22-17)14-7-13(18)12-6-11(21-4)5-10(3)16(12)19-14/h5-9H,1-4H3.
What are the key properties of 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 424.31 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 143844716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).