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

C22H27N5O2 — CID 138594791

IUPAC2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESNCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C22H27N5O2/c23-13-19(28)27-14-22(16-6-2-4-8-18(16)27)9-11-26(12-10-22)21-24-17-7-3-1-5-15(17)20(29)25-21/h2,4,6,8H,1,3,5,7,9-14,23H2,(H,24,25,29)
InChIKeyIBPGKLFHMNCPLO-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.49
Rot. Bonds2

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

2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138594791) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID138594791
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESNCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
InChIInChI=1S/C22H27N5O2/c23-13-19(28)27-14-22(16-6-2-4-8-18(16)27)9-11-26(12-10-22)21-24-17-7-3-1-5-15(17)20(29)25-21/h2,4,6,8H,1,3,5,7,9-14,23H2,(H,24,25,29)
InChIKeyIBPGKLFHMNCPLO-UHFFFAOYSA-N
XLogP1.49
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-aminoacetyl)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-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138594791) is 2-[1-(2-aminoacetyl)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-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is NCC(=O)N1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21.
What is the InChIKey of 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is IBPGKLFHMNCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c23-13-19(28)27-14-22(16-6-2-4-8-18(16)27)9-11-26(12-10-22)21-24-17-7-3-1-5-15(17)20(29)25-21/h2,4,6,8H,1,3,5,7,9-14,23H2,(H,24,25,29).
What are the key properties of 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138594791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).