6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine

C23H20ClN3O — CID 56952735

IUPAC6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-3-25-23-22(26-19-13-18(24)21(28-2)14-20(19)27-23)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyBENZNLSRLJWDCV-UHFFFAOYSA-N
MW389.89 g/mol
LogP6.06
Rot. Bonds5

About 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine

6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine (PubChem CID 56952735) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
PubChem CID56952735
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-3-25-23-22(26-19-13-18(24)21(28-2)14-20(19)27-23)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyBENZNLSRLJWDCV-UHFFFAOYSA-N
XLogP6.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine (CID 56952735) is 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
The InChIKey is BENZNLSRLJWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-3-25-23-22(26-19-13-18(24)21(28-2)14-20(19)27-23)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine has a molecular weight of 389.89 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).