1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C22H21N5O3 — CID 46959542

IUPAC1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)Nc2ccccc21
InChIInChI=1S/C22H21N5O3/c28-19(13-27-14-23-17-7-3-2-6-16(17)21(27)30)26-11-9-22(10-12-26)24-18-8-4-1-5-15(18)20(29)25-22/h1-8,14,24H,9-13H2,(H,25,29)
InChIKeyMFIYFHUJSXTFIC-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.57
Rot. Bonds2

About 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46959542) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46959542
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)Nc2ccccc21
InChIInChI=1S/C22H21N5O3/c28-19(13-27-14-23-17-7-3-2-6-16(17)21(27)30)26-11-9-22(10-12-26)24-18-8-4-1-5-15(18)20(29)25-22/h1-8,14,24H,9-13H2,(H,25,29)
InChIKeyMFIYFHUJSXTFIC-UHFFFAOYSA-N
XLogP1.57
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047
1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46959558
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
3-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642405
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46959542) is 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)Nc2ccccc21.
What is the InChIKey of 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MFIYFHUJSXTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-19(13-27-14-23-17-7-3-2-6-16(17)21(27)30)26-11-9-22(10-12-26)24-18-8-4-1-5-15(18)20(29)25-22/h1-8,14,24H,9-13H2,(H,25,29).
What are the key properties of 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 403.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-oxoquinazolin-3-yl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).