4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile

C23H23N5O — CID 24789902

IUPAC4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile
SMILESCCCCn1c(-c2ccc(C#N)cc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H23N5O/c1-4-5-10-28-20-12-18-17(27-23(29)21(25-18)14(2)3)11-19(20)26-22(28)16-8-6-15(13-24)7-9-16/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,27,29)
InChIKeyZNQDLSLMUYHPPV-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.73
Rot. Bonds5

About 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile

4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile (PubChem CID 24789902) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile
PubChem CID24789902
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile
SMILESCCCCn1c(-c2ccc(C#N)cc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H23N5O/c1-4-5-10-28-20-12-18-17(27-23(29)21(25-18)14(2)3)11-19(20)26-22(28)16-8-6-15(13-24)7-9-16/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,27,29)
InChIKeyZNQDLSLMUYHPPV-UHFFFAOYSA-N
XLogP4.73
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile?
The IUPAC name of 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile (CID 24789902) is 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile.
What is the SMILES notation for 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile?
The canonical SMILES for 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile is CCCCn1c(-c2ccc(C#N)cc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21.
What is the InChIKey of 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile?
The InChIKey is ZNQDLSLMUYHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-5-10-28-20-12-18-17(27-23(29)21(25-18)14(2)3)11-19(20)26-22(28)16-8-6-15(13-24)7-9-16/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,27,29).
What are the key properties of 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile?
4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile has a molecular weight of 385.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-6-oxo-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-2-yl)benzonitrile is sourced from PubChem (CID 24789902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).