3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione

C13H15IN4O2 — CID 156528051

IUPAC3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2NCc3cc(I)ccc3N2)C(=O)N1
InChIInChI=1S/C13H15IN4O2/c14-8-1-2-9-7(5-8)6-15-13(16-9)17-10-3-4-11(19)18-12(10)20/h1-2,5,10,13,15-17H,3-4,6H2,(H,18,19,20)
InChIKeyHSRMTLJVUOAICW-UHFFFAOYSA-N
MW386.19 g/mol
LogP0.48
Rot. Bonds2

About 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione

3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione (PubChem CID 156528051) has the molecular formula C13H15IN4O2 and a molecular weight of 386.19 g/mol. Its IUPAC name is 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione
PubChem CID156528051
Molecular FormulaC13H15IN4O2
Molecular Weight386.19 g/mol
Exact Mass386.02
IUPAC Name3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2NCc3cc(I)ccc3N2)C(=O)N1
InChIInChI=1S/C13H15IN4O2/c14-8-1-2-9-7(5-8)6-15-13(16-9)17-10-3-4-11(19)18-12(10)20/h1-2,5,10,13,15-17H,3-4,6H2,(H,18,19,20)
InChIKeyHSRMTLJVUOAICW-UHFFFAOYSA-N
XLogP0.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
CID 102731368
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]piperidine-2,6-dione
CID 82689859
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
CID 80562122
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
CID 82852801
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477

Frequently Asked Questions

What is the IUPAC name of 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione (CID 156528051) is 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione is O=C1CCC(NC2NCc3cc(I)ccc3N2)C(=O)N1.
What is the InChIKey of 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione?
The InChIKey is HSRMTLJVUOAICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O2/c14-8-1-2-9-7(5-8)6-15-13(16-9)17-10-3-4-11(19)18-12(10)20/h1-2,5,10,13,15-17H,3-4,6H2,(H,18,19,20).
What are the key properties of 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione?
3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione has a molecular weight of 386.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-iodo-1,2,3,4-tetrahydroquinazolin-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 156528051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).