6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine

C23H20ClN3O — CID 123169828

IUPAC6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3ccccc3-c3ccccc3)nc2cc1CCCl
InChIInChI=1S/C23H20ClN3O/c1-28-21-14-20-19(13-16(21)11-12-24)26-22(23(25)27-20)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H2,25,27)
InChIKeyIBTXKDZOMXLRSY-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.34
Rot. Bonds5

About 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine

6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine (PubChem CID 123169828) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
PubChem CID123169828
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3ccccc3-c3ccccc3)nc2cc1CCCl
InChIInChI=1S/C23H20ClN3O/c1-28-21-14-20-19(13-16(21)11-12-24)26-22(23(25)27-20)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H2,25,27)
InChIKeyIBTXKDZOMXLRSY-UHFFFAOYSA-N
XLogP5.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The IUPAC name of 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine (CID 123169828) is 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The canonical SMILES for 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine is COc1cc2nc(N)c(-c3ccccc3-c3ccccc3)nc2cc1CCCl.
What is the InChIKey of 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The InChIKey is IBTXKDZOMXLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-28-21-14-20-19(13-16(21)11-12-24)26-22(23(25)27-20)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H2,25,27).
What are the key properties of 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine has a molecular weight of 389.89 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 123169828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).