N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide

C22H16ClN3O2 — CID 100654599

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H16ClN3O2/c1-13-6-8-14(9-7-13)21(27)25-17-11-10-15(23)12-16(17)20-22(28)26-19-5-3-2-4-18(19)24-20/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyVMICFKJMOMIZGS-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.80
Rot. Bonds3

About N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide (PubChem CID 100654599) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
PubChem CID100654599
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H16ClN3O2/c1-13-6-8-14(9-7-13)21(27)25-17-11-10-15(23)12-16(17)20-22(28)26-19-5-3-2-4-18(19)24-20/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyVMICFKJMOMIZGS-UHFFFAOYSA-N
XLogP4.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
CID 71901581
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 7187725
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide (CID 100654599) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is VMICFKJMOMIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-13-6-8-14(9-7-13)21(27)25-17-11-10-15(23)12-16(17)20-22(28)26-19-5-3-2-4-18(19)24-20/h2-12H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 389.84 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 100654599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).