4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile

C16H8Cl2N2O — CID 63512577

IUPAC4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2N2O/c17-13-6-5-11(7-14(13)18)21-16-10(8-19)9-20-15-4-2-1-3-12(15)16/h1-7,9H
InChIKeyGYFNOMVSWHYAIW-UHFFFAOYSA-N
MW315.16 g/mol
LogP5.21
Rot. Bonds2

About 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile

4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile (PubChem CID 63512577) has the molecular formula C16H8Cl2N2O and a molecular weight of 315.16 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
PubChem CID63512577
Molecular FormulaC16H8Cl2N2O
Molecular Weight315.16 g/mol
Exact Mass314.00
IUPAC Name4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2N2O/c17-13-6-5-11(7-14(13)18)21-16-10(8-19)9-20-15-4-2-1-3-12(15)16/h1-7,9H
InChIKeyGYFNOMVSWHYAIW-UHFFFAOYSA-N
XLogP5.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.16
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
CID 43669207
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
CID 62783932
4-(2-iodophenoxy)quinoline-3-carbonitrile
CID 43669253
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257
4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
3-chloroquinoline-4-carbonitrile
CID 119084140
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
CID 157041119

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile (CID 63512577) is 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile?
The InChIKey is GYFNOMVSWHYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O/c17-13-6-5-11(7-14(13)18)21-16-10(8-19)9-20-15-4-2-1-3-12(15)16/h1-7,9H.
What are the key properties of 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile?
4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile has a molecular weight of 315.16 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 63512577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).