4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine

C36H32ClN7O4 — CID 161114097

About 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine

4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 161114097) has the molecular formula C36H32ClN7O4 and a molecular weight of 662.15 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

• Compound Name: 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
• PubChem CID: 161114097
• Molecular Formula: C36H32ClN7O4
• Molecular Weight: 662.15 g/mol
• Exact Mass: 661.22
• IUPAC Name: 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
• SMILES: COc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1OC.COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1OC
• InChI: InChI=1S/C18H16ClN3O2.C18H16N4O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-3-4-12(19)7-15(11)22;1-23-16-8-13-15(9-17(16)24-2)20-10-21-18(13)22-12-3-4-14-11(7-12)5-6-19-14/h3-4,7-10H,5-6H2,1-2H3;3-10,19H,1-2H3,(H,20,21,22)
• InChIKey: UKBWXLRGRYFZPU-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 119.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.15
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine?

The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine (CID 161114097) is 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine.

What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine?

The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1OC.COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1OC.

What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine?

The InChIKey is UKBWXLRGRYFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2.C18H16N4O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-3-4-12(19)7-15(11)22;1-23-16-8-13-15(9-17(16)24-2)20-10-21-18(13)22-12-3-4-14-11(7-12)5-6-19-14/h3-4,7-10H,5-6H2,1-2H3;3-10,19H,1-2H3,(H,20,21,22).

What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine?

4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 662.15 g/mol, XLogP of 7.87, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 161114097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).