ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen

C16H21N3O3 — CID 171626775

IUPACethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
SMILESCC.Cc1ccc2ncn(C3CCC(=O)NC3=O)c(=O)c2c1.[H][H]
InChIInChI=1S/C14H13N3O3.C2H6.H2/c1-8-2-3-10-9(6-8)14(20)17(7-15-10)11-4-5-12(18)16-13(11)19;1-2;/h2-3,6-7,11H,4-5H2,1H3,(H,16,18,19);1-2H3;1H
InChIKeyWVRYNYKGVYSNOY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.95
Rot. Bonds1

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

ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen (PubChem CID 171626775) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
PubChem CID171626775
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
SMILESCC.Cc1ccc2ncn(C3CCC(=O)NC3=O)c(=O)c2c1.[H][H]
InChIInChI=1S/C14H13N3O3.C2H6.H2/c1-8-2-3-10-9(6-8)14(20)17(7-15-10)11-4-5-12(18)16-13(11)19;1-2;/h2-3,6-7,11H,4-5H2,1H3,(H,16,18,19);1-2H3;1H
InChIKeyWVRYNYKGVYSNOY-UHFFFAOYSA-N
XLogP1.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-amino-4-oxoquinazolin-3-yl)piperidine-2,6-dione;carbanide;deuterio(fluoro)methane;molecular hydrogen;3-(6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione;palladium
CID 159274949
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(azetidin-3-yl)-6-methylquinazolin-4-one
CID 117263880
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51720999
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
(3S)-3-(4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51721884
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155212116
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273255
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527

Frequently Asked Questions

What is the IUPAC name of ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen?
The IUPAC name of ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen (CID 171626775) is ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen.
What is the SMILES notation for ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen?
The canonical SMILES for ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen is CC.Cc1ccc2ncn(C3CCC(=O)NC3=O)c(=O)c2c1.[H][H].
What is the InChIKey of ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen?
The InChIKey is WVRYNYKGVYSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3.C2H6.H2/c1-8-2-3-10-9(6-8)14(20)17(7-15-10)11-4-5-12(18)16-13(11)19;1-2;/h2-3,6-7,11H,4-5H2,1H3,(H,16,18,19);1-2H3;1H.
What are the key properties of ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen?
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen has a molecular weight of 303.36 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen is sourced from PubChem (CID 171626775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).