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

C19H15ClN4O — CID 165415115

IUPAC6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
SMILESCn1cc(-c2ccccc2)nc1COc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C19H15ClN4O/c1-24-11-17(13-5-3-2-4-6-13)22-18(24)12-25-19-10-21-16-9-14(20)7-8-15(16)23-19/h2-11H,12H2,1H3
InChIKeyLPVYLVCHCIBXCF-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.26
Rot. Bonds4

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

6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline (PubChem CID 165415115) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline.

Molecular Properties

Compound Name6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
PubChem CID165415115
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
SMILESCn1cc(-c2ccccc2)nc1COc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C19H15ClN4O/c1-24-11-17(13-5-3-2-4-6-13)22-18(24)12-25-19-10-21-16-9-14(20)7-8-15(16)23-19/h2-11H,12H2,1H3
InChIKeyLPVYLVCHCIBXCF-UHFFFAOYSA-N
XLogP4.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The IUPAC name of 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline (CID 165415115) is 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline.
What is the SMILES notation for 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The canonical SMILES for 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline is Cn1cc(-c2ccccc2)nc1COc1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
The InChIKey is LPVYLVCHCIBXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-24-11-17(13-5-3-2-4-6-13)22-18(24)12-25-19-10-21-16-9-14(20)7-8-15(16)23-19/h2-11H,12H2,1H3.
What are the key properties of 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline?
6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline has a molecular weight of 350.81 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline is sourced from PubChem (CID 165415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).