4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride

C22H12Cl2N2O2 — CID 86121135

IUPAC4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C22H12Cl2N2O2/c23-21(27)15-9-5-13(6-10-15)19-20(14-7-11-16(12-8-14)22(24)28)26-18-4-2-1-3-17(18)25-19/h1-12H
InChIKeyJOCXDYDUWNJHHQ-UHFFFAOYSA-N
MW407.26 g/mol
LogP5.72
Rot. Bonds4

About 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride

4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride (PubChem CID 86121135) has the molecular formula C22H12Cl2N2O2 and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride.

Molecular Properties

Compound Name4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride
PubChem CID86121135
Molecular FormulaC22H12Cl2N2O2
Molecular Weight407.26 g/mol
Exact Mass406.03
IUPAC Name4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C22H12Cl2N2O2/c23-21(27)15-9-5-13(6-10-15)19-20(14-7-11-16(12-8-14)22(24)28)26-18-4-2-1-3-17(18)25-19/h1-12H
InChIKeyJOCXDYDUWNJHHQ-UHFFFAOYSA-N
XLogP5.72
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.26
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
CID 4171467
CID 88892730
CID 88892730
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
3-[4-[3-[4-(2-carboxyethenyl)phenyl]quinoxalin-2-yl]phenyl]prop-2-enoic acid
CID 85135187
4-(3-chloroquinolin-2-yl)benzamide
CID 164550210
benzoyl chloride;selane
CID 174449470
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride?
The IUPAC name of 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride (CID 86121135) is 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride.
What is the SMILES notation for 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride?
The canonical SMILES for 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride is O=C(Cl)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride?
The InChIKey is JOCXDYDUWNJHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2N2O2/c23-21(27)15-9-5-13(6-10-15)19-20(14-7-11-16(12-8-14)22(24)28)26-18-4-2-1-3-17(18)25-19/h1-12H.
What are the key properties of 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride?
4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride has a molecular weight of 407.26 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride is sourced from PubChem (CID 86121135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).