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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone

C63H60N14O9 — CID 158721760

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 158721760) has the molecular formula C63H60N14O9 and a molecular weight of 1157.26 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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone.

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
• PubChem CID: 158721760
• Molecular Formula: C63H60N14O9
• Molecular Weight: 1157.26 g/mol
• Exact Mass: 1156.47
• 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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
• SMILES: CC(=O)c1nnc(-c2ccccc2)o1.CCO.COc1cc2nc(-c3cccc4cccnc34)nc(NCCN)c2cc1OC.COc1cc2nc(-c3cccc4cccnc34)nc(NCCNC(=O)c3nnc(-c4ccccc4)o3)c2cc1OC
• InChI: InChI=1S/C30H25N7O4.C21H21N5O2.C10H8N2O2.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;1-7(13)9-11-12-10(14-9)8-5-3-2-4-6-8;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);2-6H,1H3;3H,2H2,1H3
• InChIKey: IJZREYBJINQUHQ-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 308.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.26
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone (CID 158721760) 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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone.

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone is CC(=O)c1nnc(-c2ccccc2)o1.CCO.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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?

The InChIKey is IJZREYBJINQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O4.C21H21N5O2.C10H8N2O2.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;1-7(13)9-11-12-10(14-9)8-5-3-2-4-6-8;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);2-6H,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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?

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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 1157.26 g/mol, XLogP of 9.92, 17 rotatable bonds, 5 hydrogen bond donors, and 22 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;1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 158721760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).