ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C16H18N4O5 — CID 144585990

IUPACethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCC.Cc1nc2cccc([N+](=O)[O-])c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12N4O5.C2H6/c1-7-15-8-3-2-4-9(18(22)23)12(8)14(21)17(7)10-5-6-11(19)16-13(10)20;1-2/h2-4,10H,5-6H2,1H3,(H,16,19,20);1-2H3
InChIKeyNYINCWGLIFJGBJ-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.62
Rot. Bonds2

About ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione

ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 144585990) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID144585990
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Nameethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCC.Cc1nc2cccc([N+](=O)[O-])c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12N4O5.C2H6/c1-7-15-8-3-2-4-9(18(22)23)12(8)14(21)17(7)10-5-6-11(19)16-13(10)20;1-2/h2-4,10H,5-6H2,1H3,(H,16,19,20);1-2H3
InChIKeyNYINCWGLIFJGBJ-UHFFFAOYSA-N
XLogP1.62
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-deuterio-3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 90336474
3-(7-bromo-2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338228
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 164567289
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
4-[5-nitro-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]cyclohexane-1,3-dione
CID 157439553
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
3-[5-[3-[4-(azepan-1-ylmethyl)phenyl]prop-1-ynyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162729005
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 144585990) is ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is CC.Cc1nc2cccc([N+](=O)[O-])c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is NYINCWGLIFJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5.C2H6/c1-7-15-8-3-2-4-9(18(22)23)12(8)14(21)17(7)10-5-6-11(19)16-13(10)20;1-2/h2-4,10H,5-6H2,1H3,(H,16,19,20);1-2H3.
What are the key properties of ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 346.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 144585990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).