(4aS)-7-fluoro-4aH-quinoxalin-2-one

C8H5FN2O — CID 124662328

IUPAC(4aS)-7-fluoro-4aH-quinoxalin-2-one
SMILESO=C1C=N[C@H]2C=CC(F)=CC2=N1
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4,6H/t6-/m0/s1
InChIKeyYDLMQVOSHWYLMW-LURJTMIESA-N
MW164.14 g/mol
LogP0.83
Rot. Bonds

About (4aS)-7-fluoro-4aH-quinoxalin-2-one

(4aS)-7-fluoro-4aH-quinoxalin-2-one (PubChem CID 124662328) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is (4aS)-7-fluoro-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name(4aS)-7-fluoro-4aH-quinoxalin-2-one
PubChem CID124662328
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name(4aS)-7-fluoro-4aH-quinoxalin-2-one
SMILESO=C1C=N[C@H]2C=CC(F)=CC2=N1
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4,6H/t6-/m0/s1
InChIKeyYDLMQVOSHWYLMW-LURJTMIESA-N
XLogP0.83
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Oxochinoxalin
CID 57169914
6-fluoro-3H-quinoxalin-2-one
CID 71773273
7-fluoro-4aH-quinoxalin-2-one
CID 73825725
7-fluoro-8-methyl-4aH-quinoxalin-2-one
CID 75094955
7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
5-fluoro-4aH-quinoxalin-2-one
CID 76851473
8-fluoro-4aH-quinoxalin-2-one
CID 76851632
7,8-difluoro-4aH-quinoxalin-2-one
CID 77232676
3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
CID 78180206
3-(1,1,2,2,2-pentafluoroethyl)-4aH-quinoxalin-2-one
CID 78294277

Frequently Asked Questions

What is the IUPAC name of (4aS)-7-fluoro-4aH-quinoxalin-2-one?
The IUPAC name of (4aS)-7-fluoro-4aH-quinoxalin-2-one (CID 124662328) is (4aS)-7-fluoro-4aH-quinoxalin-2-one.
What is the SMILES notation for (4aS)-7-fluoro-4aH-quinoxalin-2-one?
The canonical SMILES for (4aS)-7-fluoro-4aH-quinoxalin-2-one is O=C1C=N[C@H]2C=CC(F)=CC2=N1.
What is the InChIKey of (4aS)-7-fluoro-4aH-quinoxalin-2-one?
The InChIKey is YDLMQVOSHWYLMW-LURJTMIESA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4,6H/t6-/m0/s1.
What are the key properties of (4aS)-7-fluoro-4aH-quinoxalin-2-one?
(4aS)-7-fluoro-4aH-quinoxalin-2-one has a molecular weight of 164.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-7-fluoro-4aH-quinoxalin-2-one is sourced from PubChem (CID 124662328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).