2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline

C16H13ClN2O — CID 2542826

IUPAC2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3
InChIKeyLPUUHMIWHPZXGE-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.17
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline

2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline (PubChem CID 2542826) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline
PubChem CID2542826
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3
InChIKeyLPUUHMIWHPZXGE-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline (CID 2542826) is 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline is Cc1nc2ccccc2nc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline?
The InChIKey is LPUUHMIWHPZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline?
2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline has a molecular weight of 284.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline is sourced from PubChem (CID 2542826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).