4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline

C17H11ClF3NO — CID 135018951

IUPAC4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)cc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H11ClF3NO/c1-23-12-6-7-15-14(8-12)13(9-16(22-15)17(19,20)21)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyCPMAMRUUKNFKSU-UHFFFAOYSA-N
MW337.73 g/mol
LogP5.58
Rot. Bonds2

About 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline

4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 135018951) has the molecular formula C17H11ClF3NO and a molecular weight of 337.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
PubChem CID135018951
Molecular FormulaC17H11ClF3NO
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)cc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H11ClF3NO/c1-23-12-6-7-15-14(8-12)13(9-16(22-15)17(19,20)21)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyCPMAMRUUKNFKSU-UHFFFAOYSA-N
XLogP5.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.73
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 135018947
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 130248319
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 91926587
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 126391565

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline (CID 135018951) is 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline is COc1ccc2nc(C(F)(F)F)cc(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is CPMAMRUUKNFKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO/c1-23-12-6-7-15-14(8-12)13(9-16(22-15)17(19,20)21)10-2-4-11(18)5-3-10/h2-9H,1H3.
What are the key properties of 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline?
4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 337.73 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 135018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).