6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione

C15H18ClN3O2 — CID 54194858

IUPAC6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione
SMILESCCCN1CCCC1n1c(=O)c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3O2/c1-2-7-18-8-3-4-13(18)19-12-9-10(16)5-6-11(12)17-14(20)15(19)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyPLBXGKKPGDUONN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione

6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione (PubChem CID 54194858) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione
PubChem CID54194858
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione
SMILESCCCN1CCCC1n1c(=O)c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3O2/c1-2-7-18-8-3-4-13(18)19-12-9-10(16)5-6-11(12)17-14(20)15(19)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyPLBXGKKPGDUONN-UHFFFAOYSA-N
XLogP2.35
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione (CID 54194858) is 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione is CCCN1CCCC1n1c(=O)c(=O)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione?
The InChIKey is PLBXGKKPGDUONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-7-18-8-3-4-13(18)19-12-9-10(16)5-6-11(12)17-14(20)15(19)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione?
6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione has a molecular weight of 307.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 54194858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).