1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine

C195H179BrCl8N15O5S3- — CID 160913834

About 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine

1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 160913834) has the molecular formula C195H179BrCl8N15O5S3- and a molecular weight of 3272.41 g/mol. Its IUPAC name is 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 160913834
• Molecular Formula: C195H179BrCl8N15O5S3-
• Molecular Weight: 3272.41 g/mol
• Exact Mass: 3265.01
• IUPAC Name: 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
• SMILES: COc1ccc2cc(C)ccc2c1.COc1ccc2ccc(C)cc2c1.Cc1cc2[nH]ccc2cn1.Cc1cc2c(N)nccc2cc1NS(=O)[O-].Cc1cc2c(N)nccc2cn1.Cc1cc2c(cn1)CC=C2.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2n1.Cc1ccc2c(c1)C=C(Cl)C2.Cc1ccc2c(c1)C=C(Cl)C2.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=NC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(Cl)cc2c1
• InChI: InChI=1S/2C12H12O.C11H9Br.2C11H9Cl.2C10H9Cl.C10H11N3O2S.C10H9N.C10H10.C9H8ClN.C9H7ClO.2C9H7ClS.C9H9N3.3C9H9N.2C8H8N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;2*1-7-2-3-8-5-10(11)6-9(8)4-7;1-6-4-8-7(2-3-12-10(8)11)5-9(6)13-16(14)15;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-5-6-9-3-2-4-10(9)7-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-8-7(5-12-6)2-3-11-9(8)10;1-7-2-3-8-5-10-6-9(8)4-7;1-7-5-8-3-2-4-9(8)6-10-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-8-7(5-10-6)2-3-9-8;1-6-2-3-7-8(10-6)4-5-9-7/h2*3-8H,1-2H3;3*2-7H,1H3;2*2-4,6H,5H2,1H3;2-5,13H,1H3,(H2,11,12)(H,14,15);2-7H,1H3;2,4-7H,3H2,1H3;2-5,11H,1H3;3*2-5H,1H3;2-5H,1H3,(H2,10,11);2-4,6H,5H2,1H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;2*2-5,9H,1H3/p-1
• InChIKey: FYSXOENZXHUZHL-UHFFFAOYSA-M
• XLogP: 56.40
• TPSA: 301.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3272.41
LogP ≤ 5	56.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine (CID 160913834) is 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine is COc1ccc2cc(C)ccc2c1.COc1ccc2ccc(C)cc2c1.Cc1cc2[nH]ccc2cn1.Cc1cc2c(N)nccc2cc1NS(=O)[O-].Cc1cc2c(N)nccc2cn1.Cc1cc2c(cn1)CC=C2.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2n1.Cc1ccc2c(c1)C=C(Cl)C2.Cc1ccc2c(c1)C=C(Cl)C2.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=NC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(Cl)cc2c1.

What is the InChIKey of 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is FYSXOENZXHUZHL-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H12O.C11H9Br.2C11H9Cl.2C10H9Cl.C10H11N3O2S.C10H9N.C10H10.C9H8ClN.C9H7ClO.2C9H7ClS.C9H9N3.3C9H9N.2C8H8N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;2*1-7-2-3-8-5-10(11)6-9(8)4-7;1-6-4-8-7(2-3-12-10(8)11)5-9(6)13-16(14)15;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-5-6-9-3-2-4-10(9)7-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-8-7(5-12-6)2-3-11-9(8)10;1-7-2-3-8-5-10-6-9(8)4-7;1-7-5-8-3-2-4-9(8)6-10-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-8-7(5-10-6)2-3-9-8;1-6-2-3-7-8(10-6)4-5-9-7/h2*3-8H,1-2H3;3*2-7H,1H3;2*2-4,6H,5H2,1H3;2-5,13H,1H3,(H2,11,12)(H,14,15);2-7H,1H3;2,4-7H,3H2,1H3;2-5,11H,1H3;3*2-5H,1H3;2-5H,1H3,(H2,10,11);2-4,6H,5H2,1H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;2*2-5,9H,1H3/p-1.

What are the key properties of 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?

1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 3272.41 g/mol, XLogP of 56.40, 4 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methyl-6-(sulfinatoamino)isoquinoline;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indene);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-1H-indene;2-methyl-1H-indole;5-methyl-1H-isoindole;3-methylisoquinoline;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 160913834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).