7-fluoro-8-methyl-4aH-quinoxalin-2-one

C9H7FN2O — CID 75094955

IUPAC7-fluoro-8-methyl-4aH-quinoxalin-2-one
SMILESCC1=C(F)C=CC2N=CC(=O)N=C12
InChIInChI=1S/C9H7FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4,7H,1H3
InChIKeyWRTXYBIJRBAICG-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.22
Rot. Bonds

About 7-fluoro-8-methyl-4aH-quinoxalin-2-one

7-fluoro-8-methyl-4aH-quinoxalin-2-one (PubChem CID 75094955) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 7-fluoro-8-methyl-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-8-methyl-4aH-quinoxalin-2-one
PubChem CID75094955
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name7-fluoro-8-methyl-4aH-quinoxalin-2-one
SMILESCC1=C(F)C=CC2N=CC(=O)N=C12
InChIInChI=1S/C9H7FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4,7H,1H3
InChIKeyWRTXYBIJRBAICG-UHFFFAOYSA-N
XLogP1.22
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4aH-quinoxalin-2-one
CID 73825725
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
6,7-difluoro-4aH-quinoxalin-2-one
CID 78406984
7-(trifluoromethyl)-4aH-quinoxalin-2-one
CID 85448757
(4aR)-7-fluoro-4aH-quinoxalin-2-one
CID 124662327
(4aS)-7-fluoro-4aH-quinoxalin-2-one
CID 124662328
4aH-quinoxalin-2-one
CID 71650629

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-4aH-quinoxalin-2-one?
The IUPAC name of 7-fluoro-8-methyl-4aH-quinoxalin-2-one (CID 75094955) is 7-fluoro-8-methyl-4aH-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-8-methyl-4aH-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-8-methyl-4aH-quinoxalin-2-one is CC1=C(F)C=CC2N=CC(=O)N=C12.
What is the InChIKey of 7-fluoro-8-methyl-4aH-quinoxalin-2-one?
The InChIKey is WRTXYBIJRBAICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4,7H,1H3.
What are the key properties of 7-fluoro-8-methyl-4aH-quinoxalin-2-one?
7-fluoro-8-methyl-4aH-quinoxalin-2-one has a molecular weight of 178.17 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-4aH-quinoxalin-2-one is sourced from PubChem (CID 75094955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).