3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide

C16H12FN3O3 — CID 162733624

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccc(C(=O)NO)cc3n2)cc1F
InChIInChI=1S/C16H12FN3O3/c1-23-15-5-3-9(6-11(15)17)14-8-18-12-4-2-10(16(21)20-22)7-13(12)19-14/h2-8,22H,1H3,(H,20,21)
InChIKeyZKVMGDNBJBSUGX-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide

3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide (PubChem CID 162733624) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
PubChem CID162733624
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccc(C(=O)NO)cc3n2)cc1F
InChIInChI=1S/C16H12FN3O3/c1-23-15-5-3-9(6-11(15)17)14-8-18-12-4-2-10(16(21)20-22)7-13(12)19-14/h2-8,22H,1H3,(H,20,21)
InChIKeyZKVMGDNBJBSUGX-UHFFFAOYSA-N
XLogP2.56
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039
methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
CID 164853359
N-hydroxy-3-(4-morpholin-4-ylphenyl)quinoxaline-6-carboxamide
CID 162733690
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
CID 18999917
ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
CID 18999825
(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol
CID 67763090
8-fluoro-N-hydroxy-3-phenylquinoxaline-6-carboxamide
CID 162733700
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]methyl butanoate
CID 67803751

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide (CID 162733624) is 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide is COc1ccc(-c2cnc3ccc(C(=O)NO)cc3n2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide?
The InChIKey is ZKVMGDNBJBSUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-23-15-5-3-9(6-11(15)17)14-8-18-12-4-2-10(16(21)20-22)7-13(12)19-14/h2-8,22H,1H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide?
3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide is sourced from PubChem (CID 162733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).