4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

C16H15N3O — CID 117007143

IUPAC4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOc1ccccc1N1CCNc2ccc(C#N)cc21
InChIInChI=1S/C16H15N3O/c1-20-16-5-3-2-4-14(16)19-9-8-18-13-7-6-12(11-17)10-15(13)19/h2-7,10,18H,8-9H2,1H3
InChIKeyUDSDIINWZMSURA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 117007143) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID117007143
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOc1ccccc1N1CCNc2ccc(C#N)cc21
InChIInChI=1S/C16H15N3O/c1-20-16-5-3-2-4-14(16)19-9-8-18-13-7-6-12(11-17)10-15(13)19/h2-7,10,18H,8-9H2,1H3
InChIKeyUDSDIINWZMSURA-UHFFFAOYSA-N
XLogP3.13
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (CID 117007143) is 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is COc1ccccc1N1CCNc2ccc(C#N)cc21.
What is the InChIKey of 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is UDSDIINWZMSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-5-3-2-4-14(16)19-9-8-18-13-7-6-12(11-17)10-15(13)19/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).