N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide

C17H14ClN3O3 — CID 17433781

IUPACN-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccccc3n2)c(OC)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-23-15-8-13(16(24-2)7-10(15)18)21-17(22)14-9-19-11-5-3-4-6-12(11)20-14/h3-9H,1-2H3,(H,21,22)
InChIKeyNUYQSFYMFLYQDU-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.55
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide (PubChem CID 17433781) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
PubChem CID17433781
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccccc3n2)c(OC)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-23-15-8-13(16(24-2)7-10(15)18)21-17(22)14-9-19-11-5-3-4-6-12(11)20-14/h3-9H,1-2H3,(H,21,22)
InChIKeyNUYQSFYMFLYQDU-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859774
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744736
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112162
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
CID 154970389
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide (CID 17433781) is N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide is COc1cc(NC(=O)c2cnc3ccccc3n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide?
The InChIKey is NUYQSFYMFLYQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-23-15-8-13(16(24-2)7-10(15)18)21-17(22)14-9-19-11-5-3-4-6-12(11)20-14/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 17433781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).