5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide

C16H17FN4 — CID 63776757

IUPAC5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17FN4/c1-20-8-9-21(15-5-3-2-4-14(15)20)13-7-6-11(17)10-12(13)16(18)19/h2-7,10H,8-9H2,1H3,(H3,18,19)
InChIKeyYPQDNKBDYBURFC-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds2

About 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide

5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide (PubChem CID 63776757) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
PubChem CID63776757
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17FN4/c1-20-8-9-21(15-5-3-2-4-14(15)20)13-7-6-11(17)10-12(13)16(18)19/h2-7,10H,8-9H2,1H3,(H3,18,19)
InChIKeyYPQDNKBDYBURFC-UHFFFAOYSA-N
XLogP2.70
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
CID 55234312
4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63779301
(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778940
1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63778948
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 63667633
5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 114891800
5-fluoro-2-(4-methylsulfonylpiperazin-1-yl)benzenecarboximidamide
CID 63668491
5-fluoro-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 63667982
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
CID 63778034
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
CID 107550523
2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
CID 63667646

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide (CID 63776757) is 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N1CCN(C)c2ccccc21.
What is the InChIKey of 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The InChIKey is YPQDNKBDYBURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-20-8-9-21(15-5-3-2-4-14(15)20)13-7-6-11(17)10-12(13)16(18)19/h2-7,10H,8-9H2,1H3,(H3,18,19).
What are the key properties of 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide has a molecular weight of 284.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63776757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).