4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile

C23H18N4O — CID 91082248

IUPAC4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile
SMILESCOc1ccc(C)c(Nc2nc3ccccc3nc2-c2ccc(C#N)cc2)c1
InChIInChI=1S/C23H18N4O/c1-15-7-12-18(28-2)13-21(15)27-23-22(17-10-8-16(14-24)9-11-17)25-19-5-3-4-6-20(19)26-23/h3-13H,1-2H3,(H,26,27)
InChIKeyZSXZHFJSKJEFMC-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.23
Rot. Bonds4

About 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile

4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile (PubChem CID 91082248) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile
PubChem CID91082248
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile
SMILESCOc1ccc(C)c(Nc2nc3ccccc3nc2-c2ccc(C#N)cc2)c1
InChIInChI=1S/C23H18N4O/c1-15-7-12-18(28-2)13-21(15)27-23-22(17-10-8-16(14-24)9-11-17)25-19-5-3-4-6-20(19)26-23/h3-13H,1-2H3,(H,26,27)
InChIKeyZSXZHFJSKJEFMC-UHFFFAOYSA-N
XLogP5.23
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
4-methoxy(13C)benzonitrile
CID 175991125
4-cyano-N-[3-[2-[3-(dimethylamino)propyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 56966180
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
CID 68882323
2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
CID 114252576
4-[3-(2,5-dimethylanilino)-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110593771
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
3-[(4-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 62103150
4-(2,5-dimethoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 20997615
3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide
CID 68745683

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile?
The IUPAC name of 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile (CID 91082248) is 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile is COc1ccc(C)c(Nc2nc3ccccc3nc2-c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile?
The InChIKey is ZSXZHFJSKJEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-7-12-18(28-2)13-21(15)27-23-22(17-10-8-16(14-24)9-11-17)25-19-5-3-4-6-20(19)26-23/h3-13H,1-2H3,(H,26,27).
What are the key properties of 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile?
4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile has a molecular weight of 366.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile is sourced from PubChem (CID 91082248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).