2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile

C18H10ClF3N2O — CID 141220018

IUPAC2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCOc1ccc(-c2nc3cccc(C(F)(F)F)c3cc2C#N)c(Cl)c1
InChIInChI=1S/C18H10ClF3N2O/c1-25-11-5-6-12(15(19)8-11)17-10(9-23)7-13-14(18(20,21)22)3-2-4-16(13)24-17/h2-8H,1H3
InChIKeyCYNSSOWLOBNJLM-UHFFFAOYSA-N
MW362.74 g/mol
LogP5.45
Rot. Bonds2

About 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile

2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile (PubChem CID 141220018) has the molecular formula C18H10ClF3N2O and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile
PubChem CID141220018
Molecular FormulaC18H10ClF3N2O
Molecular Weight362.74 g/mol
Exact Mass362.04
IUPAC Name2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCOc1ccc(-c2nc3cccc(C(F)(F)F)c3cc2C#N)c(Cl)c1
InChIInChI=1S/C18H10ClF3N2O/c1-25-11-5-6-12(15(19)8-11)17-10(9-23)7-13-14(18(20,21)22)3-2-4-16(13)24-17/h2-8H,1H3
InChIKeyCYNSSOWLOBNJLM-UHFFFAOYSA-N
XLogP5.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.74
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
CID 165085209
5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile
CID 139537357
2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
2-phenoxy-3-(trifluoromethyl)benzonitrile
CID 145473264
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
CID 82573311
5-methoxy-2-phenyl-4-(trifluoromethyl)benzonitrile
CID 175277844
2,3-dimethoxy-4-(trifluoromethyl)benzonitrile
CID 117333541
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 67021311

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile (CID 141220018) is 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile is COc1ccc(-c2nc3cccc(C(F)(F)F)c3cc2C#N)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile?
The InChIKey is CYNSSOWLOBNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O/c1-25-11-5-6-12(15(19)8-11)17-10(9-23)7-13-14(18(20,21)22)3-2-4-16(13)24-17/h2-8H,1H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile?
2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile has a molecular weight of 362.74 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 141220018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).