2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline

C224H237Cl2FN26O17S4 — CID 158417659

About 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline

2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline (PubChem CID 158417659) has the molecular formula C224H237Cl2FN26O17S4 and a molecular weight of 3783.70 g/mol. Its IUPAC name is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline.

Molecular Properties

• Compound Name: 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
• PubChem CID: 158417659
• Molecular Formula: C224H237Cl2FN26O17S4
• Molecular Weight: 3783.70 g/mol
• Exact Mass: 3779.67
• IUPAC Name: 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
• SMILES: COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(Cl)c(N)c1.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.[H]/N=C(\N)c1cc2ccccc2cc1C
• InChI: InChI=1S/C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H9F.C11H11NO2S.C10H10N2.C10H9N.C9H9N3O.C9H8N2.C9H11NO2.C9H11N.C9H9N.C8H8N2O.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.C7H7Cl.C7H9NO2S/c2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-7-4-5-8-3-2-6-10-9(8)11-7;1-6-3-4-7(12-2)5-8(6)9(10)11;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-6H,1H3,(H2,11,12);2-7H,1H3;2-5H,1H3,(H2,10,11,12,13);2-6H,1H3;3-5H,1-2H3,(H2,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-4H,1H3,(H2,9,10);3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10)
• InChIKey: HACFKAPUCFMZKJ-UHFFFAOYSA-N
• XLogP: 46.15
• TPSA: 811.40 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3783.70
LogP ≤ 5	46.15
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline?

The IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline (CID 158417659) is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline.

What is the SMILES notation for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline?

The canonical SMILES for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(Cl)c(N)c1.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.[H]/N=C(\N)c1cc2ccccc2cc1C.

What is the InChIKey of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline?

The InChIKey is HACFKAPUCFMZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H9F.C11H11NO2S.C10H10N2.C10H9N.C9H9N3O.C9H8N2.C9H11NO2.C9H11N.C9H9N.C8H8N2O.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.C7H7Cl.C7H9NO2S/c2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-7-4-5-8-3-2-6-10-9(8)11-7;1-6-3-4-7(12-2)5-8(6)9(10)11;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-6H,1H3,(H2,11,12);2-7H,1H3;2-5H,1H3,(H2,10,11,12,13);2-6H,1H3;3-5H,1-2H3,(H2,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-4H,1H3,(H2,9,10);3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10).

What are the key properties of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline?

2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline has a molecular weight of 3783.70 g/mol, XLogP of 46.15, 16 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline is sourced from PubChem (CID 158417659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).