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

C20H24N4O — CID 138594414

IUPAC2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H24N4O/c25-18-14-5-1-3-7-16(14)22-19(23-18)24-11-9-20(10-12-24)13-21-17-8-4-2-6-15(17)20/h2,4,6,8,21H,1,3,5,7,9-13H2,(H,22,23,25)
InChIKeySBYKJNMYJXVHLX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.61
Rot. Bonds1

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

2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138594414) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID138594414
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H24N4O/c25-18-14-5-1-3-7-16(14)22-19(23-18)24-11-9-20(10-12-24)13-21-17-8-4-2-6-15(17)20/h2,4,6,8,21H,1,3,5,7,9-13H2,(H,22,23,25)
InChIKeySBYKJNMYJXVHLX-UHFFFAOYSA-N
XLogP2.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138594414) is 2-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-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-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)CNc2ccccc23)nc2c1CCCC2.
What is the InChIKey of 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SBYKJNMYJXVHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-18-14-5-1-3-7-16(14)22-19(23-18)24-11-9-20(10-12-24)13-21-17-8-4-2-6-15(17)20/h2,4,6,8,21H,1,3,5,7,9-13H2,(H,22,23,25).
What are the key properties of 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138594414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).