1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one

C16H18FN3O3 — CID 59398367

IUPAC1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(=O)C(F)C3)c2c1
InChIInChI=1S/C16H18FN3O3/c1-23-11-2-3-13-14(8-11)20(16(22)9-18-13)7-6-19-5-4-15(21)12(17)10-19/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyQKXCNDNLRPBFQF-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one

1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one (PubChem CID 59398367) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
PubChem CID59398367
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(=O)C(F)C3)c2c1
InChIInChI=1S/C16H18FN3O3/c1-23-11-2-3-13-14(8-11)20(16(22)9-18-13)7-6-19-5-4-15(21)12(17)10-19/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyQKXCNDNLRPBFQF-UHFFFAOYSA-N
XLogP1.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one (CID 59398367) is 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one is COc1ccc2ncc(=O)n(CCN3CCC(=O)C(F)C3)c2c1.
What is the InChIKey of 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one?
The InChIKey is QKXCNDNLRPBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-23-11-2-3-13-14(8-11)20(16(22)9-18-13)7-6-19-5-4-15(21)12(17)10-19/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one?
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one has a molecular weight of 319.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 59398367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).