2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C159H162ClN21O9S3 — CID 159286236

About 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159286236) has the molecular formula C159H162ClN21O9S3 and a molecular weight of 2642.84 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 159286236
• Molecular Formula: C159H162ClN21O9S3
• Molecular Weight: 2642.84 g/mol
• Exact Mass: 2640.17
• IUPAC Name: 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(-c2noc(=O)[nH]2)c1
• InChI: InChI=1S/C12H11NO.C12H13N.C12H12O2S.C11H9Cl.C11H11NO2S.C10H10N2.2C10H11N.C10H9N.C9H8N2O2.C9H10N2O.C9H12N2.C9H8N2.C9H11N.C8H8N2O.C8H8N2S/c1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;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;1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-6H,1H3,(H2,11,12);2*3-6,11H,1-2H3;2-7H,1H3;2-5H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-3,6,10H,4-5H2,1H3;2*2-4H,1H3,(H2,9,10)
• InChIKey: KZNVEJDTTDWUIC-UHFFFAOYSA-N
• XLogP: 35.28
• TPSA: 506.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 5
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2642.84
LogP ≤ 5	35.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159286236) is 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(-c2noc(=O)[nH]2)c1.

What is the InChIKey of 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is KZNVEJDTTDWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C12H13N.C12H12O2S.C11H9Cl.C11H11NO2S.C10H10N2.2C10H11N.C10H9N.C9H8N2O2.C9H10N2O.C9H12N2.C9H8N2.C9H11N.C8H8N2O.C8H8N2S/c1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;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;1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-6H,1H3,(H2,11,12);2*3-6,11H,1-2H3;2-7H,1H3;2-5H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-3,6,10H,4-5H2,1H3;2*2-4H,1H3,(H2,9,10).

What are the key properties of 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2642.84 g/mol, XLogP of 35.28, 5 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methylnaphthalene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159286236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).