6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline

C17H22N4 — CID 118530665

IUPAC6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline
SMILESCc1nc2c(C(C)C)c3c(c(C(C)C)c2nc1C)=NCN=3
InChIInChI=1S/C17H22N4/c1-8(2)12-14-15(19-7-18-14)13(9(3)4)17-16(12)20-10(5)11(6)21-17/h8-9H,7H2,1-6H3
InChIKeyNQOSKZJWDZJCRH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.70
Rot. Bonds2

About 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline

6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline (PubChem CID 118530665) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline
PubChem CID118530665
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline
SMILESCc1nc2c(C(C)C)c3c(c(C(C)C)c2nc1C)=NCN=3
InChIInChI=1S/C17H22N4/c1-8(2)12-14-15(19-7-18-14)13(9(3)4)17-16(12)20-10(5)11(6)21-17/h8-9H,7H2,1-6H3
InChIKeyNQOSKZJWDZJCRH-UHFFFAOYSA-N
XLogP2.70
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline?
The IUPAC name of 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline (CID 118530665) is 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline.
What is the SMILES notation for 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline?
The canonical SMILES for 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline is Cc1nc2c(C(C)C)c3c(c(C(C)C)c2nc1C)=NCN=3.
What is the InChIKey of 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline?
The InChIKey is NQOSKZJWDZJCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-8(2)12-14-15(19-7-18-14)13(9(3)4)17-16(12)20-10(5)11(6)21-17/h8-9H,7H2,1-6H3.
What are the key properties of 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline?
6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline has a molecular weight of 282.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline is sourced from PubChem (CID 118530665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).