7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one

C8H6ClFN2O — CID 10465412

IUPAC7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(F)c(Cl)cc2N1
InChIInChI=1S/C8H6ClFN2O/c9-4-1-7-6(2-5(4)10)11-3-8(13)12-7/h1-2,11H,3H2,(H,12,13)
InChIKeyPDIKUYOIEQJVOB-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.84
Rot. Bonds

About 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one

7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 10465412) has the molecular formula C8H6ClFN2O and a molecular weight of 200.60 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID10465412
Molecular FormulaC8H6ClFN2O
Molecular Weight200.60 g/mol
Exact Mass200.02
IUPAC Name7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(F)c(Cl)cc2N1
InChIInChI=1S/C8H6ClFN2O/c9-4-1-7-6(2-5(4)10)11-3-8(13)12-7/h1-2,11H,3H2,(H,12,13)
InChIKeyPDIKUYOIEQJVOB-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one (CID 10465412) is 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2cc(F)c(Cl)cc2N1.
What is the InChIKey of 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is PDIKUYOIEQJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O/c9-4-1-7-6(2-5(4)10)11-3-8(13)12-7/h1-2,11H,3H2,(H,12,13).
What are the key properties of 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 200.60 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 10465412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).