N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide

C24H29F2N5O2 — CID 138595170

IUPACN-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2c(F)cc(F)cc21
InChIInChI=1S/C24H29F2N5O2/c1-15(32)27-8-11-31-14-24(21-18(26)12-16(25)13-20(21)31)6-9-30(10-7-24)23-28-19-5-3-2-4-17(19)22(33)29-23/h12-13H,2-11,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeySHPCVRILGHOXTH-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.42
Rot. Bonds4

About N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide

N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide (PubChem CID 138595170) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
PubChem CID138595170
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC NameN-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2c(F)cc(F)cc21
InChIInChI=1S/C24H29F2N5O2/c1-15(32)27-8-11-31-14-24(21-18(26)12-16(25)13-20(21)31)6-9-30(10-7-24)23-28-19-5-3-2-4-17(19)22(33)29-23/h12-13H,2-11,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeySHPCVRILGHOXTH-UHFFFAOYSA-N
XLogP2.42
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide 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]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 138594235
2-[1-[(3-aminophenyl)methyl]-4,6-difluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594546
1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-N-(2-piperidin-1-ylethyl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594262
N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
CID 146648282
N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
CID 146648518
N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594711
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-(3-piperidin-1-ylpropyl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594696
2-[1-(2-oxobutyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 162039498
2-[4,6-difluoro-1-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138594567
2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594791
2-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594712
2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594297

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide (CID 138595170) is N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide is CC(=O)NCCN1CC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2c(F)cc(F)cc21.
What is the InChIKey of N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
The InChIKey is SHPCVRILGHOXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-15(32)27-8-11-31-14-24(21-18(26)12-16(25)13-20(21)31)6-9-30(10-7-24)23-28-19-5-3-2-4-17(19)22(33)29-23/h12-13H,2-11,14H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide?
N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide is sourced from PubChem (CID 138595170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).