7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen

C91H91BrCl9N5O3S4 — CID 157123923

About 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen

7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen (PubChem CID 157123923) has the molecular formula C91H91BrCl9N5O3S4 and a molecular weight of 1830.01 g/mol. Its IUPAC name is 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen
• PubChem CID: 157123923
• Molecular Formula: C91H91BrCl9N5O3S4
• Molecular Weight: 1830.01 g/mol
• Exact Mass: 1823.24
• IUPAC Name: 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen
• SMILES: C.COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1cnc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C10H8BrN.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H7ClS2.C9H9NOS.C8H9ClO.C7H6Cl2.CH4.3H2/c1-7-4-8-2-3-9(11)5-10(8)12-6-7;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;;;;/h2-6H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;1H4;3*1H
• InChIKey: AIHKINUMUALSKF-UHFFFAOYSA-N
• XLogP: 34.95
• TPSA: 104.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.01
LogP ≤ 5	34.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen?

The IUPAC name of 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen (CID 157123923) is 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen.

What is the SMILES notation for 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen?

The canonical SMILES for 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen is C.COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1cnc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C.[H][H].[H][H].[H][H].

What is the InChIKey of 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen?

The InChIKey is AIHKINUMUALSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H7ClS2.C9H9NOS.C8H9ClO.C7H6Cl2.CH4.3H2/c1-7-4-8-2-3-9(11)5-10(8)12-6-7;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;;;;/h2-6H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;1H4;3*1H.

What are the key properties of 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen?

7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen has a molecular weight of 1830.01 g/mol, XLogP of 34.95, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-methylquinoline;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;methane;5-methoxy-2-methyl-1,3-benzothiazole;molecular hydrogen is sourced from PubChem (CID 157123923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).