3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

C24H25N3O4 — CID 10025077

IUPAC3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
SMILESCOC1CCCN(C(=O)c2ccccc2)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C24H25N3O4/c1-31-22-12-7-13-27(23(29)17-8-3-2-4-9-17)21(22)14-18(28)15-26-16-25-20-11-6-5-10-19(20)24(26)30/h2-6,8-11,16,21-22H,7,12-15H2,1H3/t21-,22?/m0/s1
InChIKeyNYLAZAVZIUCCKV-HMTLIYDFSA-N
MW419.48 g/mol
LogP2.68
Rot. Bonds6

About 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one (PubChem CID 10025077) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
PubChem CID10025077
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
SMILESCOC1CCCN(C(=O)c2ccccc2)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C24H25N3O4/c1-31-22-12-7-13-27(23(29)17-8-3-2-4-9-17)21(22)14-18(28)15-26-16-25-20-11-6-5-10-19(20)24(26)30/h2-6,8-11,16,21-22H,7,12-15H2,1H3/t21-,22?/m0/s1
InChIKeyNYLAZAVZIUCCKV-HMTLIYDFSA-N
XLogP2.68
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

tert-butyl (2S,3S)-3-(methoxymethoxy)-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
CID 25067607
ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
CID 10904816
methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
CID 14233670
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate
CID 157205531
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
prop-2-enyl (2R,3S)-2-[3-(7-bromo-6-methylsulfanyl-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-methoxypiperidine-1-carboxylate
CID 14699332
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one (CID 10025077) is 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one is COC1CCCN(C(=O)c2ccccc2)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one?
The InChIKey is NYLAZAVZIUCCKV-HMTLIYDFSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-22-12-7-13-27(23(29)17-8-3-2-4-9-17)21(22)14-18(28)15-26-16-25-20-11-6-5-10-19(20)24(26)30/h2-6,8-11,16,21-22H,7,12-15H2,1H3/t21-,22?/m0/s1.
What are the key properties of 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one?
3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 10025077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).