1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone

C64H64FN11O7 — CID 160757675

About 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 160757675) has the molecular formula C64H64FN11O7 and a molecular weight of 1118.28 g/mol. Its IUPAC name is 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
• PubChem CID: 160757675
• Molecular Formula: C64H64FN11O7
• Molecular Weight: 1118.28 g/mol
• Exact Mass: 1117.50
• IUPAC Name: 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
• SMILES: COc1cc2ncnc(Nc3ccc4c(c3)CCN4C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.COc1cc2ncnc(Nc3ccc4c(c3)CCN4C(=O)Cn3c(C)cc4ccc(F)cc43)c2cc1OC
• InChI: InChI=1S/C35H38N6O4.C29H26FN5O3/c1-23-27(26-6-3-4-7-29(26)38-23)20-34(42)41-12-10-24-18-25(8-9-31(24)41)39-35-28-19-33(32(43-2)21-30(28)36-22-37-35)45-15-5-11-40-13-16-44-17-14-40;1-17-10-18-4-5-20(30)12-25(18)35(17)15-28(36)34-9-8-19-11-21(6-7-24(19)34)33-29-22-13-26(37-2)27(38-3)14-23(22)31-16-32-29/h3-4,6-9,18-19,21-22,38H,5,10-17,20H2,1-2H3,(H,36,37,39);4-7,10-14,16H,8-9,15H2,1-3H3,(H,31,32,33)
• InChIKey: RXQJYNZWMSXMLK-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 186.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1118.28
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone?

The IUPAC name of 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone (CID 160757675) is 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone.

What is the SMILES notation for 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone?

The canonical SMILES for 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone is COc1cc2ncnc(Nc3ccc4c(c3)CCN4C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.COc1cc2ncnc(Nc3ccc4c(c3)CCN4C(=O)Cn3c(C)cc4ccc(F)cc43)c2cc1OC.

What is the InChIKey of 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone?

The InChIKey is RXQJYNZWMSXMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O4.C29H26FN5O3/c1-23-27(26-6-3-4-7-29(26)38-23)20-34(42)41-12-10-24-18-25(8-9-31(24)41)39-35-28-19-33(32(43-2)21-30(28)36-22-37-35)45-15-5-11-40-13-16-44-17-14-40;1-17-10-18-4-5-20(30)12-25(18)35(17)15-28(36)34-9-8-19-11-21(6-7-24(19)34)33-29-22-13-26(37-2)27(38-3)14-23(22)31-16-32-29/h3-4,6-9,18-19,21-22,38H,5,10-17,20H2,1-2H3,(H,36,37,39);4-7,10-14,16H,8-9,15H2,1-3H3,(H,31,32,33).

What are the key properties of 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone?

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 1118.28 g/mol, XLogP of 10.79, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone;1-[5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 160757675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).