3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione

C14H13N3O2 — CID 81426474

IUPAC3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C14H13N3O2/c18-12-7-11(14(19)17-12)16-8-10-4-1-3-9-5-2-6-15-13(9)10/h1-6,11,16H,7-8H2,(H,17,18,19)
InChIKeyXMSPTFZPLZNXDR-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.74
Rot. Bonds3

About 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione

3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 81426474) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID81426474
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C14H13N3O2/c18-12-7-11(14(19)17-12)16-8-10-4-1-3-9-5-2-6-15-13(9)10/h1-6,11,16H,7-8H2,(H,17,18,19)
InChIKeyXMSPTFZPLZNXDR-UHFFFAOYSA-N
XLogP0.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
CID 43637754
3-(1,3-benzodioxol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61211147
3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62323725
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione
CID 167881261
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284446
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione
CID 63795507

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione (CID 81426474) is 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2cccc3cccnc23)C(=O)N1.
What is the InChIKey of 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is XMSPTFZPLZNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-12-7-11(14(19)17-12)16-8-10-4-1-3-9-5-2-6-15-13(9)10/h1-6,11,16H,7-8H2,(H,17,18,19).
What are the key properties of 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione?
3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 255.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 81426474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).