bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide

C72H50Cl6N10O11 — CID 157083076

About bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide

bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide (PubChem CID 157083076) has the molecular formula C72H50Cl6N10O11 and a molecular weight of 1443.97 g/mol. Its IUPAC name is bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide.

Molecular Properties

• Compound Name: bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide
• PubChem CID: 157083076
• Molecular Formula: C72H50Cl6N10O11
• Molecular Weight: 1443.97 g/mol
• Exact Mass: 1440.18
• IUPAC Name: bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide
• SMILES: CCOC(=O)c1[nH]c2ccccc2c(=O)c1Nc1ccccc1.O=C(NCc1ccc2[nH]c3c(=O)c4cc(CNC(=O)C(Cl)(Cl)Cl)ccc4[nH]c3c(=O)c2c1)C(Cl)(Cl)Cl.O=c1c2ccccc2[nH]c2c(=O)c3ccccc3[nH]c12.O=c1c2ccccc2[nH]c2c(=O)c3ccccc3[nH]c12
• InChI: InChI=1S/C22H14Cl6N4O4.C18H16N2O3.2C16H10N2O2/c23-21(24,25)19(35)29-7-9-1-3-13-11(5-9)17(33)16-15(31-13)18(34)12-6-10(2-4-14(12)32-16)8-30-20(36)22(26,27)28;1-2-23-18(22)16-15(19-12-8-4-3-5-9-12)17(21)13-10-6-7-11-14(13)20-16;2*19-15-9-5-1-3-7-11(9)17-14-13(15)18-12-8-4-2-6-10(12)16(14)20/h1-6H,7-8H2,(H,29,35)(H,30,36)(H,31,33)(H,32,34);3-11,19H,2H2,1H3,(H,20,21);2*1-8H,(H,17,19)(H,18,20)
• InChIKey: ADTUXFQQCIMGQF-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 326.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1443.97
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide?

The IUPAC name of bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide (CID 157083076) is bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide.

What is the SMILES notation for bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide?

The canonical SMILES for bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide is CCOC(=O)c1[nH]c2ccccc2c(=O)c1Nc1ccccc1.O=C(NCc1ccc2[nH]c3c(=O)c4cc(CNC(=O)C(Cl)(Cl)Cl)ccc4[nH]c3c(=O)c2c1)C(Cl)(Cl)Cl.O=c1c2ccccc2[nH]c2c(=O)c3ccccc3[nH]c12.O=c1c2ccccc2[nH]c2c(=O)c3ccccc3[nH]c12.

What is the InChIKey of bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide?

The InChIKey is ADTUXFQQCIMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl6N4O4.C18H16N2O3.2C16H10N2O2/c23-21(24,25)19(35)29-7-9-1-3-13-11(5-9)17(33)16-15(31-13)18(34)12-6-10(2-4-14(12)32-16)8-30-20(36)22(26,27)28;1-2-23-18(22)16-15(19-12-8-4-3-5-9-12)17(21)13-10-6-7-11-14(13)20-16;2*19-15-9-5-1-3-7-11(9)17-14-13(15)18-12-8-4-2-6-10(12)16(14)20/h1-6H,7-8H2,(H,29,35)(H,30,36)(H,31,33)(H,32,34);3-11,19H,2H2,1H3,(H,20,21);2*1-8H,(H,17,19)(H,18,20).

What are the key properties of bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide?

bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide has a molecular weight of 1443.97 g/mol, XLogP of 12.99, 8 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione);ethyl 3-anilino-4-oxo-1H-quinoline-2-carboxylate;2,2,2-trichloro-N-[[6,12-dioxo-2-[[(2,2,2-trichloroacetyl)amino]methyl]-5,11-dihydroquinolino[3,2-b]quinolin-8-yl]methyl]acetamide is sourced from PubChem (CID 157083076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).