3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide

C23H16FN5O4 — CID 78319525

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H16FN5O4/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16/h2-11H,1H3,(H,25,30)(H2,28,29,31)
InChIKeyZQBFNVOMTKSWEN-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.99
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide (PubChem CID 78319525) has the molecular formula C23H16FN5O4 and a molecular weight of 445.41 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
PubChem CID78319525
Molecular FormulaC23H16FN5O4
Molecular Weight445.41 g/mol
Exact Mass445.12
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H16FN5O4/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16/h2-11H,1H3,(H,25,30)(H2,28,29,31)
InChIKeyZQBFNVOMTKSWEN-UHFFFAOYSA-N
XLogP3.99
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
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-(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-(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
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-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
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-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide (CID 78319525) is 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide?
The InChIKey is ZQBFNVOMTKSWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O4/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16/h2-11H,1H3,(H,25,30)(H2,28,29,31).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide has a molecular weight of 445.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).