6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide

C60H72N10O7 — CID 87881443

About 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide

6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide (PubChem CID 87881443) has the molecular formula C60H72N10O7 and a molecular weight of 1045.30 g/mol. Its IUPAC name is 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide
• PubChem CID: 87881443
• Molecular Formula: C60H72N10O7
• Molecular Weight: 1045.30 g/mol
• Exact Mass: 1044.56
• IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide
• SMILES: CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCCCn4ccnc4)c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCc4ccc(OC)cc4)c3CC)c2cc1OCC
• InChI: InChI=1S/C31H36N4O4.C29H36N6O3/c1-5-23-21(18-33-17-20-11-13-22(37-4)14-12-20)9-8-10-26(23)35-30-24-15-28(38-6-2)29(39-7-3)16-27(24)34-19-25(30)31(32)36;1-4-21-20(17-31-11-8-13-35-14-12-32-19-35)9-7-10-24(21)34-28-22-15-26(37-5-2)27(38-6-3)16-25(22)33-18-23(28)29(30)36/h8-16,19,33H,5-7,17-18H2,1-4H3,(H2,32,36)(H,34,35);7,9-10,12,14-16,18-19,31H,4-6,8,11,13,17H2,1-3H3,(H2,30,36)(H,33,34)
• InChIKey: NUMWJQVRAXLERH-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 224.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1045.30
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide?

The IUPAC name of 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide (CID 87881443) is 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide.

What is the SMILES notation for 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide?

The canonical SMILES for 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCCCn4ccnc4)c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCc4ccc(OC)cc4)c3CC)c2cc1OCC.

What is the InChIKey of 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide?

The InChIKey is NUMWJQVRAXLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4.C29H36N6O3/c1-5-23-21(18-33-17-20-11-13-22(37-4)14-12-20)9-8-10-26(23)35-30-24-15-28(38-6-2)29(39-7-3)16-27(24)34-19-25(30)31(32)36;1-4-21-20(17-31-11-8-13-35-14-12-32-19-35)9-7-10-24(21)34-28-22-15-26(37-5-2)27(38-6-3)16-25(22)33-18-23(28)29(30)36/h8-16,19,33H,5-7,17-18H2,1-4H3,(H2,32,36)(H,34,35);7,9-10,12,14-16,18-19,31H,4-6,8,11,13,17H2,1-3H3,(H2,30,36)(H,33,34).

What are the key properties of 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide?

6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide has a molecular weight of 1045.30 g/mol, XLogP of 10.55, 27 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[(4-methoxyphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide is sourced from PubChem (CID 87881443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).