8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline

C197H195Cl2N17O15S4 — CID 159955712

About 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline

8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline (PubChem CID 159955712) has the molecular formula C197H195Cl2N17O15S4 and a molecular weight of 3240.00 g/mol. Its IUPAC name is 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline.

Molecular Properties

• Compound Name: 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline
• PubChem CID: 159955712
• Molecular Formula: C197H195Cl2N17O15S4
• Molecular Weight: 3240.00 g/mol
• Exact Mass: 3236.33
• IUPAC Name: 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline
• SMILES: COc1ccc2cc(C)ccc2c1.COc1ccc2oc(C)nc2c1.COc1cccc2[nH]c(C)cc12.COc1cccc2[nH]c(C)nc12.COc1cccc2cc(C)ncc12.COc1cccc2nc(C)ccc12.COc1cccc2oc(C)cc12.COc1cccc2oc(C)nc12.COc1cccc2sc(C)cc12.COc1cccc2sc(C)nc12.Cc1cc2c(C)cccc2[nH]1.Cc1cc2c(C)cccc2o1.Cc1cc2c(C)cccc2s1.Cc1cc2cccc(Cl)c2cn1.Cc1cc2ccccc2cn1.Cc1ccc2c(Cl)cccc2n1.Cc1ccc2ccccc2n1.Cc1nc2c(C)cccc2[nH]1.Cc1nc2c(C)cccc2o1.Cc1nc2c(C)cccc2s1
• InChI: InChI=1S/C12H12O.2C11H11NO.2C10H8ClN.C10H11NO.C10H11N.2C10H9N.C10H10O2.C10H10OS.C10H10O.C10H10S.C9H10N2O.C9H10N2.2C9H9NO2.C9H9NOS.C9H9NO.C9H9NS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-6-9-4-3-5-11(13-2)10(9)7-12-8;1-8-6-7-9-10(12-8)4-3-5-11(9)13-2;1-7-5-8-3-2-4-10(11)9(8)6-12-7;1-7-5-6-8-9(11)3-2-4-10(8)12-7;1-7-6-8-9(11-7)4-3-5-10(8)12-2;1-7-4-3-5-10-9(7)6-8(2)11-10;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-7-6-8-9(11-2)4-3-5-10(8)12-7;2*1-7-4-3-5-10-9(7)6-8(2)11-10;1-6-10-7-4-3-5-8(12-2)9(7)11-6;1-6-4-3-5-8-9(6)11-7(2)10-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;2*1-6-10-9-7(11-2)4-3-5-8(9)12-6;2*1-6-4-3-5-8-9(6)10-7(2)11-8/h3-8H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;3-6,11H,1-2H3;3-6,11H,1-2H3;2*2-7H,1H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3,(H,10,11);3*3-5H,1-2H3;2*3-5H,1-2H3
• InChIKey: OCRMEWSJERTIPA-UHFFFAOYSA-N
• XLogP: 53.87
• TPSA: 388.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3240.00
LogP ≤ 5	53.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline?

The IUPAC name of 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline (CID 159955712) is 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline.

What is the SMILES notation for 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline?

The canonical SMILES for 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline is COc1ccc2cc(C)ccc2c1.COc1ccc2oc(C)nc2c1.COc1cccc2[nH]c(C)cc12.COc1cccc2[nH]c(C)nc12.COc1cccc2cc(C)ncc12.COc1cccc2nc(C)ccc12.COc1cccc2oc(C)cc12.COc1cccc2oc(C)nc12.COc1cccc2sc(C)cc12.COc1cccc2sc(C)nc12.Cc1cc2c(C)cccc2[nH]1.Cc1cc2c(C)cccc2o1.Cc1cc2c(C)cccc2s1.Cc1cc2cccc(Cl)c2cn1.Cc1cc2ccccc2cn1.Cc1ccc2c(Cl)cccc2n1.Cc1ccc2ccccc2n1.Cc1nc2c(C)cccc2[nH]1.Cc1nc2c(C)cccc2o1.Cc1nc2c(C)cccc2s1.

What is the InChIKey of 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline?

The InChIKey is OCRMEWSJERTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.2C11H11NO.2C10H8ClN.C10H11NO.C10H11N.2C10H9N.C10H10O2.C10H10OS.C10H10O.C10H10S.C9H10N2O.C9H10N2.2C9H9NO2.C9H9NOS.C9H9NO.C9H9NS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-6-9-4-3-5-11(13-2)10(9)7-12-8;1-8-6-7-9-10(12-8)4-3-5-11(9)13-2;1-7-5-8-3-2-4-10(11)9(8)6-12-7;1-7-5-6-8-9(11)3-2-4-10(8)12-7;1-7-6-8-9(11-7)4-3-5-10(8)12-2;1-7-4-3-5-10-9(7)6-8(2)11-10;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-7-6-8-9(11-2)4-3-5-10(8)12-7;2*1-7-4-3-5-10-9(7)6-8(2)11-10;1-6-10-7-4-3-5-8(12-2)9(7)11-6;1-6-4-3-5-8-9(6)11-7(2)10-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;2*1-6-10-9-7(11-2)4-3-5-8(9)12-6;2*1-6-4-3-5-8-9(6)10-7(2)11-8/h3-8H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;3-6,11H,1-2H3;3-6,11H,1-2H3;2*2-7H,1H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3,(H,10,11);3*3-5H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline?

8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline has a molecular weight of 3240.00 g/mol, XLogP of 53.87, 10 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-methylisoquinoline;5-chloro-2-methylquinoline;2,4-dimethyl-1H-benzimidazole;2,4-dimethyl-1-benzofuran;2,4-dimethyl-1,3-benzothiazole;2,4-dimethyl-1-benzothiophene;2,4-dimethyl-1,3-benzoxazole;2,4-dimethyl-1H-indole;4-methoxy-2-methyl-1H-benzimidazole;4-methoxy-2-methyl-1-benzofuran;4-methoxy-2-methyl-1,3-benzothiazole;4-methoxy-2-methyl-1-benzothiophene;4-methoxy-2-methyl-1,3-benzoxazole;5-methoxy-2-methyl-1,3-benzoxazole;4-methoxy-2-methyl-1H-indole;8-methoxy-3-methylisoquinoline;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylquinoline;3-methylisoquinoline;2-methylquinoline is sourced from PubChem (CID 159955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).