3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one

C19H25N3O3 — CID 72913220

IUPAC3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
SMILESCCCOCC1CCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-13-15-8-9-21(11-15)18(23)12-22-17-7-5-4-6-16(17)20-14(2)19(22)24/h4-7,15H,3,8-13H2,1-2H3
InChIKeyZNJSIYWXNKESIY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.98
Rot. Bonds6

About 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one

3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one (PubChem CID 72913220) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
PubChem CID72913220
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
SMILESCCCOCC1CCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-13-15-8-9-21(11-15)18(23)12-22-17-7-5-4-6-16(17)20-14(2)19(22)24/h4-7,15H,3,8-13H2,1-2H3
InChIKeyZNJSIYWXNKESIY-UHFFFAOYSA-N
XLogP1.98
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one (CID 72913220) is 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one is CCCOCC1CCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The InChIKey is ZNJSIYWXNKESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-10-25-13-15-8-9-21(11-15)18(23)12-22-17-7-5-4-6-16(17)20-14(2)19(22)24/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one is sourced from PubChem (CID 72913220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).