2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one

C23H24F2N4O2 — CID 138594292

IUPAC2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc12
InChIInChI=1S/C23H24F2N4O2/c1-14-3-2-4-16-20(14)26-22(27-21(16)31)28-7-5-23(6-8-28)13-29(9-10-30)18-12-15(24)11-17(25)19(18)23/h2-4,11-12,30H,5-10,13H2,1H3,(H,26,27,31)
InChIKeyBSFWBIWYONWUDM-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.86
Rot. Bonds3

About 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one

2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one (PubChem CID 138594292) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one
PubChem CID138594292
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc12
InChIInChI=1S/C23H24F2N4O2/c1-14-3-2-4-16-20(14)26-22(27-21(16)31)28-7-5-23(6-8-28)13-29(9-10-30)18-12-15(24)11-17(25)19(18)23/h2-4,11-12,30H,5-10,13H2,1H3,(H,26,27,31)
InChIKeyBSFWBIWYONWUDM-UHFFFAOYSA-N
XLogP2.86
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-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

Related Compounds

2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 137701512
4,6-difluoro-1-(2-hydroxyethyl)-1'-(8-methyl-4-oxo-3H-quinazolin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594627
1-(2,3-Dihydroxypropyl)-4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 155529963
4,6-Difluoro-1-(2-methoxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 155532179
2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 138594235
4,6-Difluoro-1-(2-hydroxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594242
2-(4-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594472
4,6-difluoro-1-(2-hydroxyethyl)-1'-(7-methyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594491
2-[1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594506
4,6-Difluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594558
4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594628
6-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594645

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one (CID 138594292) is 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc12.
What is the InChIKey of 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one?
The InChIKey is BSFWBIWYONWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-14-3-2-4-16-20(14)26-22(27-21(16)31)28-7-5-23(6-8-28)13-29(9-10-30)18-12-15(24)11-17(25)19(18)23/h2-4,11-12,30H,5-10,13H2,1H3,(H,26,27,31).
What are the key properties of 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one?
2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one has a molecular weight of 426.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 138594292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).