1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone

C86H104N12O5 — CID 157285304

About 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone

1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone (PubChem CID 157285304) has the molecular formula C86H104N12O5 and a molecular weight of 1385.86 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone
• PubChem CID: 157285304
• Molecular Formula: C86H104N12O5
• Molecular Weight: 1385.86 g/mol
• Exact Mass: 1384.83
• IUPAC Name: 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone
• SMILES: Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCOCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCc3ccccc3C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2Cc3ccccc3C2)CCN(C)C1
• InChI: InChI=1S/C24H27N3O.C23H25N3O.C20H27N3O.C19H25N3O2/c1-17-7-8-22-20(13-17)21-15-25(2)11-10-23(21)27(22)16-24(28)26-12-9-18-5-3-4-6-19(18)14-26;1-16-7-8-21-19(11-16)20-14-24(2)10-9-22(20)26(21)15-23(27)25-12-17-5-3-4-6-18(17)13-25;1-15-6-7-18-16(12-15)17-13-21(2)11-8-19(17)23(18)14-20(24)22-9-4-3-5-10-22;1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)13-19(23)21-7-9-24-10-8-21/h3-8,13H,9-12,14-16H2,1-2H3;3-8,11H,9-10,12-15H2,1-2H3;6-7,12H,3-5,8-11,13-14H2,1-2H3;3-4,11H,5-10,12-13H2,1-2H3
• InChIKey: BADVFZBTXCNJHG-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 123.15 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1385.86
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone (CID 157285304) is 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone.

What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone is Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCOCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCc3ccccc3C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2Cc3ccccc3C2)CCN(C)C1.

What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The InChIKey is BADVFZBTXCNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C23H25N3O.C20H27N3O.C19H25N3O2/c1-17-7-8-22-20(13-17)21-15-25(2)11-10-23(21)27(22)16-24(28)26-12-9-18-5-3-4-6-19(18)14-26;1-16-7-8-21-19(11-16)20-14-24(2)10-9-22(20)26(21)15-23(27)25-12-17-5-3-4-6-18(17)13-25;1-15-6-7-18-16(12-15)17-13-21(2)11-8-19(17)23(18)14-20(24)22-9-4-3-5-10-22;1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)13-19(23)21-7-9-24-10-8-21/h3-8,13H,9-12,14-16H2,1-2H3;3-8,11H,9-10,12-15H2,1-2H3;6-7,12H,3-5,8-11,13-14H2,1-2H3;3-4,11H,5-10,12-13H2,1-2H3.

What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone has a molecular weight of 1385.86 g/mol, XLogP of 11.75, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-dihydroisoindol-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 157285304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).