8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one

C69H69N15O — CID 122689324

IUPAC8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(Nc1cc(-c2ccc3c(c2)CNC3=O)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCC4CCCCN4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCC4CCCNC4)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5O.2C23H25N5/c1-14(16-3-2-6-24-12-16)28-18-10-20(22-21(11-18)25-7-8-26-22)15-4-5-19-17(9-15)13-27-23(19)29;1-28-10-6-17-4-5-18(11-22(17)28)20-12-19(13-21-23(20)26-9-8-25-21)27-15-16-3-2-7-24-14-16;1-28-11-7-16-5-6-17(12-22(16)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h2-12,14,28H,13H2,1H3,(H,27,29);4-6,8-13,16,24,27H,2-3,7,14-15H2,1H3;5-7,9-14,18,24,27H,2-4,8,15H2,1H3
InChIKeyCFAHFFLTZWAZHN-UHFFFAOYSA-N
MW1124.41 g/mol
LogP12.65
Rot. Bonds12

About 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one

8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 122689324) has the molecular formula C69H69N15O and a molecular weight of 1124.41 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID122689324
Molecular FormulaC69H69N15O
Molecular Weight1124.41 g/mol
Exact Mass1123.58
IUPAC Name8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(Nc1cc(-c2ccc3c(c2)CNC3=O)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCC4CCCCN4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCC4CCCNC4)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5O.2C23H25N5/c1-14(16-3-2-6-24-12-16)28-18-10-20(22-21(11-18)25-7-8-26-22)15-4-5-19-17(9-15)13-27-23(19)29;1-28-10-6-17-4-5-18(11-22(17)28)20-12-19(13-21-23(20)26-9-8-25-21)27-15-16-3-2-7-24-14-16;1-28-11-7-16-5-6-17(12-22(16)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h2-12,14,28H,13H2,1H3,(H,27,29);4-6,8-13,16,24,27H,2-3,7,14-15H2,1H3;5-7,9-14,18,24,27H,2-4,8,15H2,1H3
InChIKeyCFAHFFLTZWAZHN-UHFFFAOYSA-N
XLogP12.65
TPSA189.34 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001124.41
LogP ≤ 512.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one (CID 122689324) is 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one is CC(Nc1cc(-c2ccc3c(c2)CNC3=O)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCC4CCCCN4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCC4CCCNC4)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is CFAHFFLTZWAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.2C23H25N5/c1-14(16-3-2-6-24-12-16)28-18-10-20(22-21(11-18)25-7-8-26-22)15-4-5-19-17(9-15)13-27-23(19)29;1-28-10-6-17-4-5-18(11-22(17)28)20-12-19(13-21-23(20)26-9-8-25-21)27-15-16-3-2-7-24-14-16;1-28-11-7-16-5-6-17(12-22(16)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h2-12,14,28H,13H2,1H3,(H,27,29);4-6,8-13,16,24,27H,2-3,7,14-15H2,1H3;5-7,9-14,18,24,27H,2-4,8,15H2,1H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one?
8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1124.41 g/mol, XLogP of 12.65, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(piperidin-3-ylmethyl)quinoxalin-6-amine;5-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 122689324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).