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

C15H19N3O2 — CID 63138879

IUPAC4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNC1
InChIInChI=1S/C15H19N3O2/c1-2-15(7-8-16-10-15)14(20)18-9-13(19)17-11-5-3-4-6-12(11)18/h3-6,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyQUXWUKWDXLNUNZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.36
Rot. Bonds2

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

4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 63138879) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID63138879
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNC1
InChIInChI=1S/C15H19N3O2/c1-2-15(7-8-16-10-15)14(20)18-9-13(19)17-11-5-3-4-6-12(11)18/h3-6,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyQUXWUKWDXLNUNZ-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776796
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 63138879) is 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is CCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNC1.
What is the InChIKey of 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is QUXWUKWDXLNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-15(7-8-16-10-15)14(20)18-9-13(19)17-11-5-3-4-6-12(11)18/h3-6,16H,2,7-10H2,1H3,(H,17,19).
What are the key properties of 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63138879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).