[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate

C21H18N4O5 — CID 142699709

IUPAC[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
SMILESCc1nc2cccc(COC(=O)c3ccccn3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C21H18N4O5/c1-12-23-14-7-4-5-13(11-30-21(29)15-6-2-3-10-22-15)18(14)20(28)25(12)16-8-9-17(26)24-19(16)27/h2-7,10,16H,8-9,11H2,1H3,(H,24,26,27)
InChIKeyIZJRVOIYTMBGOG-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.43
Rot. Bonds4

About [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate

[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate (PubChem CID 142699709) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
PubChem CID142699709
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
SMILESCc1nc2cccc(COC(=O)c3ccccn3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C21H18N4O5/c1-12-23-14-7-4-5-13(11-30-21(29)15-6-2-3-10-22-15)18(14)20(28)25(12)16-8-9-17(26)24-19(16)27/h2-7,10,16H,8-9,11H2,1H3,(H,24,26,27)
InChIKeyIZJRVOIYTMBGOG-UHFFFAOYSA-N
XLogP1.43
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
CID 66656780
[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate
CID 176669639
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
3-[2-methyl-5-[7-(4-methylpiperazin-1-yl)heptoxy]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093645
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 164567289

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate?
The IUPAC name of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate (CID 142699709) is [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate.
What is the SMILES notation for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate?
The canonical SMILES for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate is Cc1nc2cccc(COC(=O)c3ccccn3)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate?
The InChIKey is IZJRVOIYTMBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-12-23-14-7-4-5-13(11-30-21(29)15-6-2-3-10-22-15)18(14)20(28)25(12)16-8-9-17(26)24-19(16)27/h2-7,10,16H,8-9,11H2,1H3,(H,24,26,27).
What are the key properties of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate?
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate has a molecular weight of 406.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate is sourced from PubChem (CID 142699709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).