N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one

C103H135ClN12O5 — CID 158686265

About N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one

N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one (PubChem CID 158686265) has the molecular formula C103H135ClN12O5 and a molecular weight of 1656.74 g/mol. Its IUPAC name is N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one.

Molecular Properties

• Compound Name: N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one
• PubChem CID: 158686265
• Molecular Formula: C103H135ClN12O5
• Molecular Weight: 1656.74 g/mol
• Exact Mass: 1655.04
• IUPAC Name: N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCC2)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CC(C)(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CC(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CCC2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)NCc2ccccc2)CCN(C)C1
• InChI: InChI=1S/C23H32N2O.C22H25N3O.C20H28N2O.C19H24ClN3O.C19H26N2O/c1-17-8-11-22-20(14-17)21-16-24(2)13-12-23(21)25(22)15-19(26)10-9-18-6-4-3-5-7-18;1-16-8-9-20-18(12-16)19-14-24(2)11-10-21(19)25(20)15-22(26)23-13-17-6-4-3-5-7-17;1-14-6-7-18-16(10-14)17-13-21(5)9-8-19(17)22(18)12-15(23)11-20(2,3)4;1-22-9-8-18-16(11-22)15-10-13(20)6-7-17(15)23(18)12-19(24)21-14-4-2-3-5-14;1-13(2)9-15(22)11-21-18-6-5-14(3)10-16(18)17-12-20(4)8-7-19(17)21/h8,11,14,18H,3-7,9-10,12-13,15-16H2,1-2H3;3-9,12H,10-11,13-15H2,1-2H3,(H,23,26);6-7,10H,8-9,11-13H2,1-5H3;6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,21,24);5-6,10,13H,7-9,11-12H2,1-4H3
• InChIKey: IFTWNBDVXHAPPQ-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 150.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.74
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one?

The IUPAC name of N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one (CID 158686265) is N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one.

What is the SMILES notation for N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one?

The canonical SMILES for N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one is CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCC2)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CC(C)(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CC(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)CCC2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)NCc2ccccc2)CCN(C)C1.

What is the InChIKey of N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one?

The InChIKey is IFTWNBDVXHAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.C22H25N3O.C20H28N2O.C19H24ClN3O.C19H26N2O/c1-17-8-11-22-20(14-17)21-16-24(2)13-12-23(21)25(22)15-19(26)10-9-18-6-4-3-5-7-18;1-16-8-9-20-18(12-16)19-14-24(2)11-10-21(19)25(20)15-22(26)23-13-17-6-4-3-5-7-17;1-14-6-7-18-16(10-14)17-13-21(5)9-8-19(17)22(18)12-15(23)11-20(2,3)4;1-22-9-8-18-16(11-22)15-10-13(20)6-7-17(15)23(18)12-19(24)21-14-4-2-3-5-14;1-13(2)9-15(22)11-21-18-6-5-14(3)10-16(18)17-12-20(4)8-7-19(17)21/h8,11,14,18H,3-7,9-10,12-13,15-16H2,1-2H3;3-9,12H,10-11,13-15H2,1-2H3,(H,23,26);6-7,10H,8-9,11-13H2,1-5H3;6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,21,24);5-6,10,13H,7-9,11-12H2,1-4H3.

What are the key properties of N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one?

N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one has a molecular weight of 1656.74 g/mol, XLogP of 18.96, 19 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclopentylacetamide;4-cyclohexyl-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)butan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethylpentan-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-methylpentan-2-one is sourced from PubChem (CID 158686265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).