4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione

C14H13N3O4 — CID 15041060

IUPAC4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione
SMILESCc1nc2ccccc2c(=O)n1CCC1C(=O)NOC1=O
InChIInChI=1S/C14H13N3O4/c1-8-15-11-5-3-2-4-9(11)13(19)17(8)7-6-10-12(18)16-21-14(10)20/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyVEFTUSAPUCQKDL-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.30
Rot. Bonds3

About 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione

4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione (PubChem CID 15041060) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione
PubChem CID15041060
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione
SMILESCc1nc2ccccc2c(=O)n1CCC1C(=O)NOC1=O
InChIInChI=1S/C14H13N3O4/c1-8-15-11-5-3-2-4-9(11)13(19)17(8)7-6-10-12(18)16-21-14(10)20/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyVEFTUSAPUCQKDL-UHFFFAOYSA-N
XLogP0.30
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
CID 92565221
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
CID 71706749
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione (CID 15041060) is 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione is Cc1nc2ccccc2c(=O)n1CCC1C(=O)NOC1=O.
What is the InChIKey of 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione?
The InChIKey is VEFTUSAPUCQKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-15-11-5-3-2-4-9(11)13(19)17(8)7-6-10-12(18)16-21-14(10)20/h2-5,10H,6-7H2,1H3,(H,16,18).
What are the key properties of 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione?
4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione has a molecular weight of 287.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 15041060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).