6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline

C14H16Cl2N4O — CID 23649429

IUPAC6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
InChIInChI=1S/C14H16Cl2N4O/c1-19-3-5-20(6-4-19)13-14(21-2)18-12-8-10(16)9(15)7-11(12)17-13/h7-8H,3-6H2,1-2H3
InChIKeyVFAWPRYTYHKGPZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.70
Rot. Bonds2

About 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline

6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 23649429) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID23649429
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
InChIInChI=1S/C14H16Cl2N4O/c1-19-3-5-20(6-4-19)13-14(21-2)18-12-8-10(16)9(15)7-11(12)17-13/h7-8H,3-6H2,1-2H3
InChIKeyVFAWPRYTYHKGPZ-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline (CID 23649429) is 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline is COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1.
What is the InChIKey of 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is VFAWPRYTYHKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-19-3-5-20(6-4-19)13-14(21-2)18-12-8-10(16)9(15)7-11(12)17-13/h7-8H,3-6H2,1-2H3.
What are the key properties of 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline?
6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 327.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 23649429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).