8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile

C18H15N3O2 — CID 59292871

IUPAC8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile
SMILESCOc1cc(OC)cc(-c2ccc(C#N)c3ncc(C)nc23)c1
InChIInChI=1S/C18H15N3O2/c1-11-10-20-17-12(9-19)4-5-16(18(17)21-11)13-6-14(22-2)8-15(7-13)23-3/h4-8,10H,1-3H3
InChIKeyBNYYEHWVGMEEJR-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.49
Rot. Bonds3

About 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile

8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile (PubChem CID 59292871) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile
PubChem CID59292871
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile
SMILESCOc1cc(OC)cc(-c2ccc(C#N)c3ncc(C)nc23)c1
InChIInChI=1S/C18H15N3O2/c1-11-10-20-17-12(9-19)4-5-16(18(17)21-11)13-6-14(22-2)8-15(7-13)23-3/h4-8,10H,1-3H3
InChIKeyBNYYEHWVGMEEJR-UHFFFAOYSA-N
XLogP3.49
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile?
The IUPAC name of 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile (CID 59292871) is 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile.
What is the SMILES notation for 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile?
The canonical SMILES for 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile is COc1cc(OC)cc(-c2ccc(C#N)c3ncc(C)nc23)c1.
What is the InChIKey of 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile?
The InChIKey is BNYYEHWVGMEEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-10-20-17-12(9-19)4-5-16(18(17)21-11)13-6-14(22-2)8-15(7-13)23-3/h4-8,10H,1-3H3.
What are the key properties of 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile?
8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile is sourced from PubChem (CID 59292871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).