ethane;7-fluoro-8-methylquinoxalin-5-amine

C11H14FN3 — CID 177323268

IUPACethane;7-fluoro-8-methylquinoxalin-5-amine
SMILESCC.Cc1c(F)cc(N)c2nccnc12
InChIInChI=1S/C9H8FN3.C2H6/c1-5-6(10)4-7(11)9-8(5)12-2-3-13-9;1-2/h2-4H,11H2,1H3;1-2H3
InChIKeySNMXUJWKHMOQJT-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.69
Rot. Bonds

About ethane;7-fluoro-8-methylquinoxalin-5-amine

ethane;7-fluoro-8-methylquinoxalin-5-amine (PubChem CID 177323268) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is ethane;7-fluoro-8-methylquinoxalin-5-amine.

Molecular Properties

Compound Nameethane;7-fluoro-8-methylquinoxalin-5-amine
PubChem CID177323268
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Nameethane;7-fluoro-8-methylquinoxalin-5-amine
SMILESCC.Cc1c(F)cc(N)c2nccnc12
InChIInChI=1S/C9H8FN3.C2H6/c1-5-6(10)4-7(11)9-8(5)12-2-3-13-9;1-2/h2-4H,11H2,1H3;1-2H3
InChIKeySNMXUJWKHMOQJT-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6,8-trimethylquinoxaline
CID 58813986
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
3-fluoro-2,5-dimethylaniline
CID 55289526
7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
CID 18785143
5-chloro-3-fluoro-2-methylaniline
CID 18727792
3-amino-5-fluoro-4-methylphenol
CID 131277286
3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane
CID 164916885
8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
CID 83165372
4,9-dimethyl-[1,2,5]telluradiazolo[3,4-g]quinoxaline
CID 162462583
7-(trifluoromethyl)quinoxalin-5-amine
CID 151759354
7-fluoro-8-methylquinoline-5-sulfonyl chloride
CID 54593009

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-8-methylquinoxalin-5-amine?
The IUPAC name of ethane;7-fluoro-8-methylquinoxalin-5-amine (CID 177323268) is ethane;7-fluoro-8-methylquinoxalin-5-amine.
What is the SMILES notation for ethane;7-fluoro-8-methylquinoxalin-5-amine?
The canonical SMILES for ethane;7-fluoro-8-methylquinoxalin-5-amine is CC.Cc1c(F)cc(N)c2nccnc12.
What is the InChIKey of ethane;7-fluoro-8-methylquinoxalin-5-amine?
The InChIKey is SNMXUJWKHMOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3.C2H6/c1-5-6(10)4-7(11)9-8(5)12-2-3-13-9;1-2/h2-4H,11H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-8-methylquinoxalin-5-amine?
ethane;7-fluoro-8-methylquinoxalin-5-amine has a molecular weight of 207.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-8-methylquinoxalin-5-amine is sourced from PubChem (CID 177323268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).