2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

C34H35ClN4O3S2 — CID 158725551

IUPAC2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS.C17H18N2O2S/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;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12/h5-9H,1-4H3;5-9H,1-4H3,(H,18,20)
InChIKeyIKLLJUMFOXTQKC-UHFFFAOYSA-N
MW647.27 g/mol
LogP9.54
Rot. Bonds6

About 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (PubChem CID 158725551) has the molecular formula C34H35ClN4O3S2 and a molecular weight of 647.27 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
PubChem CID158725551
Molecular FormulaC34H35ClN4O3S2
Molecular Weight647.27 g/mol
Exact Mass646.18
IUPAC Name2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS.C17H18N2O2S/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;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12/h5-9H,1-4H3;5-9H,1-4H3,(H,18,20)
InChIKeyIKLLJUMFOXTQKC-UHFFFAOYSA-N
XLogP9.54
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.27
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL
CID 53393377
2-(4-Chloro-7-methoxy-8-methylquinolin-2-yl)-4-isopropylthiazole
CID 51358651
8-Ethyl-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4(1H)-one
CID 57956376
2-(2-Cyclohexyl-1,3-thiazol-4-yl)-7-methoxy-8-methylquinolin-4(1H)-one
CID 57956414
ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane
CID 143401531
ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 143401570
But-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 143897716
ethene;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 144353124
ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 144353216
but-1-ene;methane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;1-methoxypropane
CID 145162307
7-methoxy-8-nonyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 150393533
2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 157113587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (CID 158725551) is 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The InChIKey is IKLLJUMFOXTQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS.C17H18N2O2S/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;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12/h5-9H,1-4H3;5-9H,1-4H3,(H,18,20).
What are the key properties of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one has a molecular weight of 647.27 g/mol, XLogP of 9.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 158725551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).