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

C20H23ClN4O — CID 138594732

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

2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138594732) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• PubChem CID: 138594732
• Molecular Formula: C20H23ClN4O
• Molecular Weight: 370.88 g/mol
• Exact Mass: 370.16
• IUPAC Name: 2-(6-chlorospiro[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(Cl)ccc23)nc2c1CCCC2
• InChI: InChI=1S/C20H23ClN4O/c21-13-5-6-15-17(11-13)22-12-20(15)7-9-25(10-8-20)19-23-16-4-2-1-3-14(16)18(26)24-19/h5-6,11,22H,1-4,7-10,12H2,(H,23,24,26)
• InChIKey: UXQSFPKVNVQHTR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.88
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138594732) is 2-(6-chlorospiro[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-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The canonical SMILES for 2-(6-chlorospiro[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(Cl)ccc23)nc2c1CCCC2.

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

The InChIKey is UXQSFPKVNVQHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-13-5-6-15-17(11-13)22-12-20(15)7-9-25(10-8-20)19-23-16-4-2-1-3-14(16)18(26)24-19/h5-6,11,22H,1-4,7-10,12H2,(H,23,24,26).

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

2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 370.88 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).