7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one

C22H21ClN4O — CID 19875903

IUPAC7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
SMILESCC(C)Cc1nc2ccc(C(c3cccc(Cl)c3)n3ccnc3)cc2[nH]c1=O
InChIInChI=1S/C22H21ClN4O/c1-14(2)10-20-22(28)26-19-12-16(6-7-18(19)25-20)21(27-9-8-24-13-27)15-4-3-5-17(23)11-15/h3-9,11-14,21H,10H2,1-2H3,(H,26,28)
InChIKeyZQVYCADZVAMUAZ-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.61
Rot. Bonds5

About 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one

7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one (PubChem CID 19875903) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
PubChem CID19875903
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
SMILESCC(C)Cc1nc2ccc(C(c3cccc(Cl)c3)n3ccnc3)cc2[nH]c1=O
InChIInChI=1S/C22H21ClN4O/c1-14(2)10-20-22(28)26-19-12-16(6-7-18(19)25-20)21(27-9-8-24-13-27)15-4-3-5-17(23)11-15/h3-9,11-14,21H,10H2,1-2H3,(H,26,28)
InChIKeyZQVYCADZVAMUAZ-UHFFFAOYSA-N
XLogP4.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one?
The IUPAC name of 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one (CID 19875903) is 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one is CC(C)Cc1nc2ccc(C(c3cccc(Cl)c3)n3ccnc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one?
The InChIKey is ZQVYCADZVAMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14(2)10-20-22(28)26-19-12-16(6-7-18(19)25-20)21(27-9-8-24-13-27)15-4-3-5-17(23)11-15/h3-9,11-14,21H,10H2,1-2H3,(H,26,28).
What are the key properties of 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one?
7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one has a molecular weight of 392.89 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 19875903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).