N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

C23H16FN5O3 — CID 78319468

IUPACN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C23H16FN5O3/c1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15/h2-12H,1H3,(H,25,26)(H,27,30)
InChIKeyIKSMGRQPIGOLHU-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.70
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (PubChem CID 78319468) has the molecular formula C23H16FN5O3 and a molecular weight of 429.41 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
PubChem CID78319468
Molecular FormulaC23H16FN5O3
Molecular Weight429.41 g/mol
Exact Mass429.12
IUPAC NameN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C23H16FN5O3/c1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15/h2-12H,1H3,(H,25,26)(H,27,30)
InChIKeyIKSMGRQPIGOLHU-UHFFFAOYSA-N
XLogP4.70
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 162126735
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 118376009
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
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
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-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 119081297
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (CID 78319468) is N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The InChIKey is IKSMGRQPIGOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O3/c1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15/h2-12H,1H3,(H,25,26)(H,27,30).
What are the key properties of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).