3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline

C20H17ClN4O — CID 165415055

IUPAC3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
SMILESCc1ccc2nc(OCc3nc(-c4ccccc4)cn3C)c(Cl)nc2c1
InChIInChI=1S/C20H17ClN4O/c1-13-8-9-15-16(10-13)23-19(21)20(24-15)26-12-18-22-17(11-25(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyAFOXJESPTIBKBC-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.57
Rot. Bonds4

About 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline

3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline (PubChem CID 165415055) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline.

Molecular Properties

Compound Name3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
PubChem CID165415055
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
SMILESCc1ccc2nc(OCc3nc(-c4ccccc4)cn3C)c(Cl)nc2c1
InChIInChI=1S/C20H17ClN4O/c1-13-8-9-15-16(10-13)23-19(21)20(24-15)26-12-18-22-17(11-25(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyAFOXJESPTIBKBC-UHFFFAOYSA-N
XLogP4.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The IUPAC name of 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline (CID 165415055) is 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline.
What is the SMILES notation for 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The canonical SMILES for 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline is Cc1ccc2nc(OCc3nc(-c4ccccc4)cn3C)c(Cl)nc2c1.
What is the InChIKey of 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The InChIKey is AFOXJESPTIBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-13-8-9-15-16(10-13)23-19(21)20(24-15)26-12-18-22-17(11-25(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline has a molecular weight of 364.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline is sourced from PubChem (CID 165415055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).