N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride

C15H10ClN3O — CID 73427550

IUPACN-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H10ClN3O/c16-15(20)18-11-5-3-4-10(8-11)14-9-17-12-6-1-2-7-13(12)19-14/h1-9H,(H,18,20)
InChIKeyTTXMXPHTIWQSFU-UHFFFAOYSA-N
MW283.72 g/mol
LogP4.07
Rot. Bonds2

About N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride

N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride (PubChem CID 73427550) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
PubChem CID73427550
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC NameN-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H10ClN3O/c16-15(20)18-11-5-3-4-10(8-11)14-9-17-12-6-1-2-7-13(12)19-14/h1-9H,(H,18,20)
InChIKeyTTXMXPHTIWQSFU-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
CID 19616159
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
CID 123722516
N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
CID 134593476
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide
CID 19616170
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
N-(3-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112246

Frequently Asked Questions

What is the IUPAC name of N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride?
The IUPAC name of N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride (CID 73427550) is N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride.
What is the SMILES notation for N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride?
The canonical SMILES for N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride is O=C(Cl)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride?
The InChIKey is TTXMXPHTIWQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-15(20)18-11-5-3-4-10(8-11)14-9-17-12-6-1-2-7-13(12)19-14/h1-9H,(H,18,20).
What are the key properties of N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride?
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride has a molecular weight of 283.72 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride is sourced from PubChem (CID 73427550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).