5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C22H15ClN4O5 — CID 78319872

IUPAC5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C22H15ClN4O5/c1-31-18-10-12(23)6-9-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-7-8-16(22(29)30)24-11-13/h2-11H,1H3,(H,25,28)(H,29,30)
InChIKeyOVWYSWYMPREVKW-UHFFFAOYSA-N
MW450.84 g/mol
LogP4.43
Rot. Bonds6

About 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319872) has the molecular formula C22H15ClN4O5 and a molecular weight of 450.84 g/mol. Its IUPAC name is 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319872
Molecular FormulaC22H15ClN4O5
Molecular Weight450.84 g/mol
Exact Mass450.07
IUPAC Name5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C22H15ClN4O5/c1-31-18-10-12(23)6-9-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-7-8-16(22(29)30)24-11-13/h2-11H,1H3,(H,25,28)(H,29,30)
InChIKeyOVWYSWYMPREVKW-UHFFFAOYSA-N
XLogP4.43
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

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
5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319871
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
CID 163494304
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 118376009
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319872) is 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is COc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OVWYSWYMPREVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O5/c1-31-18-10-12(23)6-9-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-7-8-16(22(29)30)24-11-13/h2-11H,1H3,(H,25,28)(H,29,30).
What are the key properties of 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 450.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).