2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane

C21H24ClN3O — CID 143896348

IUPAC2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane
SMILESCC.CC.COc1cc(C)cc(-c2ccc(C#N)c3ncc(Cl)nc23)c1
InChIInChI=1S/C17H12ClN3O.2C2H6/c1-10-5-12(7-13(6-10)22-2)14-4-3-11(8-19)16-17(14)21-15(18)9-20-16;2*1-2/h3-7,9H,1-2H3;2*1-2H3
InChIKeyVFONQZGSQZLONL-UHFFFAOYSA-N
MW369.90 g/mol
LogP6.19
Rot. Bonds2

About 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane

2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane (PubChem CID 143896348) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane.

Molecular Properties

Compound Name2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane
PubChem CID143896348
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane
SMILESCC.CC.COc1cc(C)cc(-c2ccc(C#N)c3ncc(Cl)nc23)c1
InChIInChI=1S/C17H12ClN3O.2C2H6/c1-10-5-12(7-13(6-10)22-2)14-4-3-11(8-19)16-17(14)21-15(18)9-20-16;2*1-2/h3-7,9H,1-2H3;2*1-2H3
InChIKeyVFONQZGSQZLONL-UHFFFAOYSA-N
XLogP6.19
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
CID 71100257
8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile
CID 59292871
8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
CID 59292917
3-chloroquinoxaline-5-carbonitrile
CID 119083814
5-chloro-2-(3-methoxy-5-methylphenoxy)pyridine
CID 141112024
5-chloro-2-methoxypyridine-4-carbonitrile
CID 77230156
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
2-(3,5-dimethylphenyl)-5-methylbenzonitrile
CID 91665753
2-(4-methoxyphenyl)-5-(5-methyl-1,3-thiazol-2-yl)benzonitrile
CID 70842869
2-(3-methoxy-5-methylphenoxy)-5-nitrobenzonitrile
CID 143108304
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
6-chloro-5-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 86588577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane?
The IUPAC name of 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane (CID 143896348) is 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane.
What is the SMILES notation for 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane?
The canonical SMILES for 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane is CC.CC.COc1cc(C)cc(-c2ccc(C#N)c3ncc(Cl)nc23)c1.
What is the InChIKey of 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane?
The InChIKey is VFONQZGSQZLONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O.2C2H6/c1-10-5-12(7-13(6-10)22-2)14-4-3-11(8-19)16-17(14)21-15(18)9-20-16;2*1-2/h3-7,9H,1-2H3;2*1-2H3.
What are the key properties of 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane?
2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane has a molecular weight of 369.90 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane is sourced from PubChem (CID 143896348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).