4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C26H22N4O2 — CID 43902973

About 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43902973) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 43902973
• Molecular Formula: C26H22N4O2
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.17
• IUPAC Name: 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: O=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc43)nc(Nc3ccccc3)c21
• InChI: InChI=1S/C26H22N4O2/c31-22-16-18(23-11-6-14-32-23)15-20-24(22)25(27-19-8-2-1-3-9-19)29-26(28-20)30-13-12-17-7-4-5-10-21(17)30/h1-11,14,18H,12-13,15-16H2,(H,27,28,29)
• InChIKey: KOOPECJUAOVZKE-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 43902973) is 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc43)nc(Nc3ccccc3)c21.

What is the InChIKey of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is KOOPECJUAOVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-22-16-18(23-11-6-14-32-23)15-20-24(22)25(27-19-8-2-1-3-9-19)29-26(28-20)30-13-12-17-7-4-5-10-21(17)30/h1-11,14,18H,12-13,15-16H2,(H,27,28,29).

What are the key properties of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?

4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 422.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43902973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).