N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

C23H15FN4O3 — CID 118376009

IUPACN-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESC#Cc1ccnc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2OC)c1
InChIInChI=1S/C23H15FN4O3/c1-3-14-10-11-25-20(12-14)28-22(29)21-23(27-17-7-5-4-6-16(17)26-21)31-18-9-8-15(24)13-19(18)30-2/h1,4-13H,2H3,(H,25,28,29)
InChIKeyIHNYNKSBHGWFFV-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.20
Rot. Bonds5

About N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (PubChem CID 118376009) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
PubChem CID118376009
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC NameN-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESC#Cc1ccnc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2OC)c1
InChIInChI=1S/C23H15FN4O3/c1-3-14-10-11-25-20(12-14)28-22(29)21-23(27-17-7-5-4-6-16(17)26-21)31-18-9-8-15(24)13-19(18)30-2/h1,4-13H,2H3,(H,25,28,29)
InChIKeyIHNYNKSBHGWFFV-UHFFFAOYSA-N
XLogP4.20
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
N-(4-acetylphenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(3-ethynylphenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydroindol-6-yl)quinoxaline-2-carboxamide
CID 159499754
N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
CID 159906522
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 119081297
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
CID 33229993
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methylphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 158985941

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (CID 118376009) is N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is C#Cc1ccnc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2OC)c1.
What is the InChIKey of N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The InChIKey is IHNYNKSBHGWFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c1-3-14-10-11-25-20(12-14)28-22(29)21-23(27-17-7-5-4-6-16(17)26-21)31-18-9-8-15(24)13-19(18)30-2/h1,4-13H,2H3,(H,25,28,29).
What are the key properties of N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 118376009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).