4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C13H15N3O2 — CID 63006373

IUPAC4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCNC2)c2ccccc2N1
InChIInChI=1S/C13H15N3O2/c17-12-8-16(13(18)9-5-6-14-7-9)11-4-2-1-3-10(11)15-12/h1-4,9,14H,5-8H2,(H,15,17)
InChIKeyQIJPHCGYHLFMNH-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.58
Rot. Bonds1

About 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 63006373) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID63006373
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCNC2)c2ccccc2N1
InChIInChI=1S/C13H15N3O2/c17-12-8-16(13(18)9-5-6-14-7-9)11-4-2-1-3-10(11)15-12/h1-4,9,14H,5-8H2,(H,15,17)
InChIKeyQIJPHCGYHLFMNH-UHFFFAOYSA-N
XLogP0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 63006373) is 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCNC2)c2ccccc2N1.
What is the InChIKey of 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is QIJPHCGYHLFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-8-16(13(18)9-5-6-14-7-9)11-4-2-1-3-10(11)15-12/h1-4,9,14H,5-8H2,(H,15,17).
What are the key properties of 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63006373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).