2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C27H37N5O3 — CID 146592303

About 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 146592303) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• PubChem CID: 146592303
• Molecular Formula: C27H37N5O3
• Molecular Weight: 479.63 g/mol
• Exact Mass: 479.29
• IUPAC Name: 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• SMILES: O=c1[nH]c(N2CCC3(CC2)CNc2cc(OCCCN4CCOCC4)ccc23)nc2c1CCCC2
• InChI: InChI=1S/C27H37N5O3/c33-25-21-4-1-2-5-23(21)29-26(30-25)32-11-8-27(9-12-32)19-28-24-18-20(6-7-22(24)27)35-15-3-10-31-13-16-34-17-14-31/h6-7,18,28H,1-5,8-17,19H2,(H,29,30,33)
• InChIKey: QGJYRLXLOCWJFP-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 82.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.63
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The IUPAC name of 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 146592303) is 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

What is the SMILES notation for 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The canonical SMILES for 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)CNc2cc(OCCCN4CCOCC4)ccc23)nc2c1CCCC2.

What is the InChIKey of 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The InChIKey is QGJYRLXLOCWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c33-25-21-4-1-2-5-23(21)29-26(30-25)32-11-8-27(9-12-32)19-28-24-18-20(6-7-22(24)27)35-15-3-10-31-13-16-34-17-14-31/h6-7,18,28H,1-5,8-17,19H2,(H,29,30,33).

What are the key properties of 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 479.63 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 146592303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).