N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

C64H62N14O10 — CID 161248866

About N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 161248866) has the molecular formula C64H62N14O10 and a molecular weight of 1187.29 g/mol. Its IUPAC name is N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

• Compound Name: N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
• PubChem CID: 161248866
• Molecular Formula: C64H62N14O10
• Molecular Weight: 1187.29 g/mol
• Exact Mass: 1186.48
• IUPAC Name: N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
• SMILES: CCO.CCOC(=O)c1nnc(-c2ccccc2)o1.COc1cc2nc(-c3cccc4cccnc34)nc(NCCN)c2cc1OC.COc1cc2nc(-c3cccc4cccnc34)nc(NCCNC(=O)c3nnc(-c4ccccc4)o3)c2cc1OC
• InChI: InChI=1S/C30H25N7O4.C21H21N5O2.C11H10N2O3.C2H6O/c1-39-23-16-21-22(17-24(23)40-2)34-27(20-12-6-10-18-11-7-13-31-25(18)20)35-26(21)32-14-15-33-28(38)30-37-36-29(41-30)19-8-4-3-5-9-19;1-27-17-11-15-16(12-18(17)28-2)25-21(26-20(15)24-10-8-22)14-7-3-5-13-6-4-9-23-19(13)14;1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8;1-2-3/h3-13,16-17H,14-15H2,1-2H3,(H,33,38)(H,32,34,35);3-7,9,11-12H,8,10,22H2,1-2H3,(H,24,25,26);3-7H,2H2,1H3;3H,2H2,1H3
• InChIKey: VAZQWUJXCHTXRA-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 317.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.29
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?

The IUPAC name of N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (CID 161248866) is N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.

What is the SMILES notation for N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?

The canonical SMILES for N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is CCO.CCOC(=O)c1nnc(-c2ccccc2)o1.COc1cc2nc(-c3cccc4cccnc34)nc(NCCN)c2cc1OC.COc1cc2nc(-c3cccc4cccnc34)nc(NCCNC(=O)c3nnc(-c4ccccc4)o3)c2cc1OC.

What is the InChIKey of N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?

The InChIKey is VAZQWUJXCHTXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O4.C21H21N5O2.C11H10N2O3.C2H6O/c1-39-23-16-21-22(17-24(23)40-2)34-27(20-12-6-10-18-11-7-13-31-25(18)20)35-26(21)32-14-15-33-28(38)30-37-36-29(41-30)19-8-4-3-5-9-19;1-27-17-11-15-16(12-18(17)28-2)25-21(26-20(15)24-10-8-22)14-7-3-5-13-6-4-9-23-19(13)14;1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8;1-2-3/h3-13,16-17H,14-15H2,1-2H3,(H,33,38)(H,32,34,35);3-7,9,11-12H,8,10,22H2,1-2H3,(H,24,25,26);3-7H,2H2,1H3;3H,2H2,1H3.

What are the key properties of N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?

N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 1187.29 g/mol, XLogP of 9.90, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;N'-(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)ethane-1,2-diamine;ethanol;ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 161248866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).