2-chloro-5,7-dimethoxy-3-phenylquinoxaline

C16H13ClN2O2 — CID 10542283

IUPAC2-chloro-5,7-dimethoxy-3-phenylquinoxaline
SMILESCOc1cc(OC)c2nc(-c3ccccc3)c(Cl)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-8-12-15(13(9-11)21-2)19-14(16(17)18-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKGFOGXRYKPGKGX-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-5,7-dimethoxy-3-phenylquinoxaline

2-chloro-5,7-dimethoxy-3-phenylquinoxaline (PubChem CID 10542283) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-5,7-dimethoxy-3-phenylquinoxaline.

Molecular Properties

Compound Name2-chloro-5,7-dimethoxy-3-phenylquinoxaline
PubChem CID10542283
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-chloro-5,7-dimethoxy-3-phenylquinoxaline
SMILESCOc1cc(OC)c2nc(-c3ccccc3)c(Cl)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-8-12-15(13(9-11)21-2)19-14(16(17)18-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKGFOGXRYKPGKGX-UHFFFAOYSA-N
XLogP3.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-methoxy-3-phenylquinoxalin-6-ol
CID 142006607
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
1,3-dimethoxy-5-phenylbenzene
CID 11469945
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2,5-dichloro-4-(3-methoxy-5-phenylphenyl)pyrimidine
CID 171627180
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethoxy-3-phenylquinoxaline?
The IUPAC name of 2-chloro-5,7-dimethoxy-3-phenylquinoxaline (CID 10542283) is 2-chloro-5,7-dimethoxy-3-phenylquinoxaline.
What is the SMILES notation for 2-chloro-5,7-dimethoxy-3-phenylquinoxaline?
The canonical SMILES for 2-chloro-5,7-dimethoxy-3-phenylquinoxaline is COc1cc(OC)c2nc(-c3ccccc3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-5,7-dimethoxy-3-phenylquinoxaline?
The InChIKey is KGFOGXRYKPGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-11-8-12-15(13(9-11)21-2)19-14(16(17)18-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-chloro-5,7-dimethoxy-3-phenylquinoxaline?
2-chloro-5,7-dimethoxy-3-phenylquinoxaline has a molecular weight of 300.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethoxy-3-phenylquinoxaline is sourced from PubChem (CID 10542283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).