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

C23H26N4O — CID 24792237

IUPAC1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCCCCn1c(-c2ccccc2C)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H26N4O/c1-5-6-11-27-20-13-18-17(26-23(28)21(24-18)14(2)3)12-19(20)25-22(27)16-10-8-7-9-15(16)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,26,28)
InChIKeyYOMURRVRWJODEU-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.17
Rot. Bonds5

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

1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 24792237) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID24792237
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCCCCn1c(-c2ccccc2C)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H26N4O/c1-5-6-11-27-20-13-18-17(26-23(28)21(24-18)14(2)3)12-19(20)25-22(27)16-10-8-7-9-15(16)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,26,28)
InChIKeyYOMURRVRWJODEU-UHFFFAOYSA-N
XLogP5.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one (CID 24792237) is 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one is CCCCn1c(-c2ccccc2C)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21.
What is the InChIKey of 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is YOMURRVRWJODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-6-11-27-20-13-18-17(26-23(28)21(24-18)14(2)3)12-19(20)25-22(27)16-10-8-7-9-15(16)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,26,28).
What are the key properties of 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 374.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 24792237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).