N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

C26H24N8O2 — CID 78140882

IUPACN-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=O)c1nc[nH]c1CNc1ccc2nccnc2c1
InChIInChI=1S/C26H24N8O2/c1-27-25(35)23-11-17-16-4-2-3-5-18(16)33-22(17)13-34(23)26(36)24-21(31-14-32-24)12-30-15-6-7-19-20(10-15)29-9-8-28-19/h2-10,14,23,30,33H,11-13H2,1H3,(H,27,35)(H,31,32)
InChIKeySKVFLNZPAYFMMS-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (PubChem CID 78140882) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
PubChem CID78140882
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC NameN-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=O)c1nc[nH]c1CNc1ccc2nccnc2c1
InChIInChI=1S/C26H24N8O2/c1-27-25(35)23-11-17-16-4-2-3-5-18(16)33-22(17)13-34(23)26(36)24-21(31-14-32-24)12-30-15-6-7-19-20(10-15)29-9-8-28-19/h2-10,14,23,30,33H,11-13H2,1H3,(H,27,35)(H,31,32)
InChIKeySKVFLNZPAYFMMS-UHFFFAOYSA-N
XLogP2.76
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (CID 78140882) is N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is CNC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=O)c1nc[nH]c1CNc1ccc2nccnc2c1.
What is the InChIKey of N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The InChIKey is SKVFLNZPAYFMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-27-25(35)23-11-17-16-4-2-3-5-18(16)33-22(17)13-34(23)26(36)24-21(31-14-32-24)12-30-15-6-7-19-20(10-15)29-9-8-28-19/h2-10,14,23,30,33H,11-13H2,1H3,(H,27,35)(H,31,32).
What are the key properties of N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 78140882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).