N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide

C52H59N11O8S — CID 162078835

About N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide

N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide (PubChem CID 162078835) has the molecular formula C52H59N11O8S and a molecular weight of 998.18 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide
• PubChem CID: 162078835
• Molecular Formula: C52H59N11O8S
• Molecular Weight: 998.18 g/mol
• Exact Mass: 997.43
• IUPAC Name: N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide
• SMILES: CCN(CC)CCCNC(=O)c1ccc(/N=N/C(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.CCN(CC)CCCNS(=O)(=O)c1ccc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c2c1
• InChI: InChI=1S/C27H28N4O4S.C25H31N7O4/c1-3-31(4-2)13-7-12-28-36(34,35)17-10-11-23-19(14-17)27(33)21-16-24-20(15-25(21)30-23)26(32)18-8-5-6-9-22(18)29-24;1-4-32(5-2)14-6-13-26-23(34)17-7-9-18(10-8-17)30-31-22(16(3)33)24(35)27-19-11-12-20-21(15-19)29-25(36)28-20/h5-6,8-11,14-16,28H,3-4,7,12-13H2,1-2H3,(H,29,32)(H,30,33);7-12,15,22H,4-6,13-14H2,1-3H3,(H,26,34)(H,27,35)(H2,28,29,36)/b;31-30+
• InChIKey: ZCBILZDMKPQOBZ-LCKYDWRQSA-N
• XLogP: 6.68
• TPSA: 267.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	998.18
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide?

The IUPAC name of N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide (CID 162078835) is N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide.

What is the SMILES notation for N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide?

The canonical SMILES for N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide is CCN(CC)CCCNC(=O)c1ccc(/N=N/C(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.CCN(CC)CCCNS(=O)(=O)c1ccc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c2c1.

What is the InChIKey of N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide?

The InChIKey is ZCBILZDMKPQOBZ-LCKYDWRQSA-N. The full InChI is InChI=1S/C27H28N4O4S.C25H31N7O4/c1-3-31(4-2)13-7-12-28-36(34,35)17-10-11-23-19(14-17)27(33)21-16-24-20(15-25(21)30-23)26(32)18-8-5-6-9-22(18)29-24;1-4-32(5-2)14-6-13-26-23(34)17-7-9-18(10-8-17)30-31-22(16(3)33)24(35)27-19-11-12-20-21(15-19)29-25(36)28-20/h5-6,8-11,14-16,28H,3-4,7,12-13H2,1-2H3,(H,29,32)(H,30,33);7-12,15,22H,4-6,13-14H2,1-3H3,(H,26,34)(H,27,35)(H2,28,29,36)/b;31-30+.

What are the key properties of N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide?

N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide has a molecular weight of 998.18 g/mol, XLogP of 6.68, 20 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide is sourced from PubChem (CID 162078835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).