3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one

C20H24N4O3 — CID 95201784

IUPAC3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)C1=O
InChIInChI=1S/C20H24N4O3/c1-22-10-4-8-20(19(22)27)9-12-23(13-20)17(25)7-11-24-14-21-16-6-3-2-5-15(16)18(24)26/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m0/s1
InChIKeyUOJKDBXOLKXEAU-FQEVSTJZSA-N
MW368.44 g/mol
LogP1.26
Rot. Bonds3

About 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 95201784) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID95201784
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)C1=O
InChIInChI=1S/C20H24N4O3/c1-22-10-4-8-20(19(22)27)9-12-23(13-20)17(25)7-11-24-14-21-16-6-3-2-5-15(16)18(24)26/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m0/s1
InChIKeyUOJKDBXOLKXEAU-FQEVSTJZSA-N
XLogP1.26
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
CID 135089097
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
N,N-diethyl-4-hydroxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidine-4-carboxamide;formic acid
CID 171339222
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one (CID 95201784) is 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one is CN1CCC[C@@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)C1=O.
What is the InChIKey of 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is UOJKDBXOLKXEAU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-10-4-8-20(19(22)27)9-12-23(13-20)17(25)7-11-24-14-21-16-6-3-2-5-15(16)18(24)26/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m0/s1.
What are the key properties of 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 95201784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).