3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one

C15H18N2O3 — CID 104751611

IUPAC3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CC(=O)C2CCOC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-8-11-4-2-3-5-13(11)17(15(16)19)9-14(18)12-6-7-20-10-12/h2-5,12H,6-10H2,1H3
InChIKeyASEDYEAPTAMCBX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds3

About 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one

3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one (PubChem CID 104751611) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one
PubChem CID104751611
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CC(=O)C2CCOC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-8-11-4-2-3-5-13(11)17(15(16)19)9-14(18)12-6-7-20-10-12/h2-5,12H,6-10H2,1H3
InChIKeyASEDYEAPTAMCBX-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 91759909
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805
(3S,4S)-4-cyclopropyl-1-[2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 72857568
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 113448958
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 70708192
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388
1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82006279

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one?
The IUPAC name of 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one (CID 104751611) is 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one is CN1Cc2ccccc2N(CC(=O)C2CCOC2)C1=O.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one?
The InChIKey is ASEDYEAPTAMCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-8-11-4-2-3-5-13(11)17(15(16)19)9-14(18)12-6-7-20-10-12/h2-5,12H,6-10H2,1H3.
What are the key properties of 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one?
3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one is sourced from PubChem (CID 104751611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).