5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile

C17H11Cl2N3O2 — CID 66572971

IUPAC5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
SMILESCOc1ccc(COc2nc3c(Cl)ccc(Cl)c3nc2C#N)cc1
InChIInChI=1S/C17H11Cl2N3O2/c1-23-11-4-2-10(3-5-11)9-24-17-14(8-20)21-15-12(18)6-7-13(19)16(15)22-17/h2-7H,9H2,1H3
InChIKeyGLMQCTDICJTLEJ-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.40
Rot. Bonds4

About 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile

5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile (PubChem CID 66572971) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
PubChem CID66572971
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Name5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
SMILESCOc1ccc(COc2nc3c(Cl)ccc(Cl)c3nc2C#N)cc1
InChIInChI=1S/C17H11Cl2N3O2/c1-23-11-4-2-10(3-5-11)9-24-17-14(8-20)21-15-12(18)6-7-13(19)16(15)22-17/h2-7H,9H2,1H3
InChIKeyGLMQCTDICJTLEJ-UHFFFAOYSA-N
XLogP4.40
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxalin-2-yl]hydrazine
CID 66573079
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
CID 22683873
3-chloro-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbonitrile
CID 153398267
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
CID 59184713
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile?
The IUPAC name of 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile (CID 66572971) is 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile.
What is the SMILES notation for 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile?
The canonical SMILES for 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile is COc1ccc(COc2nc3c(Cl)ccc(Cl)c3nc2C#N)cc1.
What is the InChIKey of 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile?
The InChIKey is GLMQCTDICJTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c1-23-11-4-2-10(3-5-11)9-24-17-14(8-20)21-15-12(18)6-7-13(19)16(15)22-17/h2-7H,9H2,1H3.
What are the key properties of 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile?
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile has a molecular weight of 360.20 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile is sourced from PubChem (CID 66572971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).