N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide

C19H13N5O2 — CID 47051300

IUPACN-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H13N5O2/c25-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)26-19-20-10-3-11-21-19/h1-12H,(H,23,25)
InChIKeyMLHZTSATQBXLQW-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.46
Rot. Bonds4

About N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide

N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide (PubChem CID 47051300) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
PubChem CID47051300
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC NameN-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H13N5O2/c25-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)26-19-20-10-3-11-21-19/h1-12H,(H,23,25)
InChIKeyMLHZTSATQBXLQW-UHFFFAOYSA-N
XLogP3.46
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
N-(4-quinoxalin-2-yloxyphenyl)acetamide
CID 1473207
4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051312
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
N-[2-(dimethylamino)pyrimidin-5-yl]quinoxaline-2-carboxamide
CID 122297962
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide (CID 47051300) is N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide is O=C(Nc1ccc(Oc2ncccn2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide?
The InChIKey is MLHZTSATQBXLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)26-19-20-10-3-11-21-19/h1-12H,(H,23,25).
What are the key properties of N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide?
N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 47051300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).