[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury

C15H13HgN4O4 — CID 144668416

IUPAC[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
SMILESCc1nc2cccc(NC(=O)[Hg])c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C15H13N4O4.Hg/c1-8-17-10-4-2-3-9(16-7-20)13(10)15(23)19(8)11-5-6-12(21)18-14(11)22;/h2-4,11H,5-6H2,1H3,(H,16,20)(H,18,21,22);/t11-;/m1./s1
InChIKeyIVGOSJZXOOBUHM-RFVHGSKJSA-N
MW513.88 g/mol
LogP0.76
Rot. Bonds2

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

[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury (PubChem CID 144668416) has the molecular formula C15H13HgN4O4 and a molecular weight of 513.88 g/mol. Its IUPAC name is [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury.

Molecular Properties

Compound Name[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
PubChem CID144668416
Molecular FormulaC15H13HgN4O4
Molecular Weight513.88 g/mol
Exact Mass515.06
IUPAC Name[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
SMILESCc1nc2cccc(NC(=O)[Hg])c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C15H13N4O4.Hg/c1-8-17-10-4-2-3-9(16-7-20)13(10)15(23)19(8)11-5-6-12(21)18-14(11)22;/h2-4,11H,5-6H2,1H3,(H,16,20)(H,18,21,22);/t11-;/m1./s1
InChIKeyIVGOSJZXOOBUHM-RFVHGSKJSA-N
XLogP0.76
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.88
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
[(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
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
3-[5-[6-(1-adamantylamino)hexylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093683
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 164567289
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
4-[[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]methyl]-N-(3-ethylhex-5-en-3-yl)cyclohexane-1-carboxamide
CID 170239674
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
CID 142699709

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury?
The IUPAC name of [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury (CID 144668416) is [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury.
What is the SMILES notation for [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury?
The canonical SMILES for [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury is Cc1nc2cccc(NC(=O)[Hg])c2c(=O)n1[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury?
The InChIKey is IVGOSJZXOOBUHM-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H13N4O4.Hg/c1-8-17-10-4-2-3-9(16-7-20)13(10)15(23)19(8)11-5-6-12(21)18-14(11)22;/h2-4,11H,5-6H2,1H3,(H,16,20)(H,18,21,22);/t11-;/m1./s1.
What are the key properties of [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury?
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury has a molecular weight of 513.88 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury is sourced from PubChem (CID 144668416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).