1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione

C16H17N3O2 — CID 62783272

IUPAC1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cnc3ccccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-10(2)19-15(20)8-14(16(19)21)18-12-7-11-5-3-4-6-13(11)17-9-12/h3-7,9-10,14,18H,8H2,1-2H3
InChIKeyKQBZBIFTAUEHGV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds3

About 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione (PubChem CID 62783272) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione
PubChem CID62783272
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cnc3ccccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-10(2)19-15(20)8-14(16(19)21)18-12-7-11-5-3-4-6-13(11)17-9-12/h3-7,9-10,14,18H,8H2,1-2H3
InChIKeyKQBZBIFTAUEHGV-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione (CID 62783272) is 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2cnc3ccccc3c2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione?
The InChIKey is KQBZBIFTAUEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(2)19-15(20)8-14(16(19)21)18-12-7-11-5-3-4-6-13(11)17-9-12/h3-7,9-10,14,18H,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).