6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline

C16H17ClN2 — CID 54401907

IUPAC6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C)c2c(ccc(Cl)c2-c2ccccc2)N1
InChIInChI=1S/C16H17ClN2/c1-11-10-19(2)16-14(18-11)9-8-13(17)15(16)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3
InChIKeyVNZYFLWQAYRSSJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.26
Rot. Bonds1

About 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline

6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline (PubChem CID 54401907) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline
PubChem CID54401907
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C)c2c(ccc(Cl)c2-c2ccccc2)N1
InChIInChI=1S/C16H17ClN2/c1-11-10-19(2)16-14(18-11)9-8-13(17)15(16)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3
InChIKeyVNZYFLWQAYRSSJ-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline (CID 54401907) is 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline is CC1CN(C)c2c(ccc(Cl)c2-c2ccccc2)N1.
What is the InChIKey of 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is VNZYFLWQAYRSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-10-19(2)16-14(18-11)9-8-13(17)15(16)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline?
6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 272.78 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-5-phenyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 54401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).