2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C25H33N5O — CID 146647694

IUPAC2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CN(CC2CCCN2)c2ccccc23)nc2c1CCCC2
InChIInChI=1S/C25H33N5O/c31-23-19-7-1-3-9-21(19)27-24(28-23)29-14-11-25(12-15-29)17-30(16-18-6-5-13-26-18)22-10-4-2-8-20(22)25/h2,4,8,10,18,26H,1,3,5-7,9,11-17H2,(H,27,28,31)
InChIKeyXFKXMJJLUWFOOD-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 146647694) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID146647694
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CN(CC2CCCN2)c2ccccc23)nc2c1CCCC2
InChIInChI=1S/C25H33N5O/c31-23-19-7-1-3-9-21(19)27-24(28-23)29-14-11-25(12-15-29)17-30(16-18-6-5-13-26-18)22-10-4-2-8-20(22)25/h2,4,8,10,18,26H,1,3,5-7,9,11-17H2,(H,27,28,31)
InChIKeyXFKXMJJLUWFOOD-UHFFFAOYSA-N
XLogP2.76
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-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-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 146647694) is 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)CN(CC2CCCN2)c2ccccc23)nc2c1CCCC2.
What is the InChIKey of 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is XFKXMJJLUWFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c31-23-19-7-1-3-9-21(19)27-24(28-23)29-14-11-25(12-15-29)17-30(16-18-6-5-13-26-18)22-10-4-2-8-20(22)25/h2,4,8,10,18,26H,1,3,5-7,9,11-17H2,(H,27,28,31).
What are the key properties of 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 419.57 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrrolidin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 146647694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).