3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C15H15N3O4 — CID 167418527

IUPAC3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCOc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C15H15N3O4/c1-8-16-11-4-3-9(22-2)7-10(11)15(21)18(8)12-5-6-13(19)17-14(12)20/h3-4,7,12H,5-6H2,1-2H3,(H,17,19,20)
InChIKeyCTGVITSUKJFRAL-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.69
Rot. Bonds2

About 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 167418527) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID167418527
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCOc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C15H15N3O4/c1-8-16-11-4-3-9(22-2)7-10(11)15(21)18(8)12-5-6-13(19)17-14(12)20/h3-4,7,12H,5-6H2,1-2H3,(H,17,19,20)
InChIKeyCTGVITSUKJFRAL-UHFFFAOYSA-N
XLogP0.69
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
3-[6-[[(4-chloroanilino)methylamino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 123897363
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 129120524
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 86345042
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 167418527) is 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is COc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1.
What is the InChIKey of 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is CTGVITSUKJFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-16-11-4-3-9(22-2)7-10(11)15(21)18(8)12-5-6-13(19)17-14(12)20/h3-4,7,12H,5-6H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 301.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 167418527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).