6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline

C22H15ClFNO — CID 8966955

IUPAC6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H15ClFNO/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,1H3
InChIKeyCUFQSGKRMHLTCL-UHFFFAOYSA-N
MW363.82 g/mol
LogP6.37
Rot. Bonds3

About 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline

6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline (PubChem CID 8966955) has the molecular formula C22H15ClFNO and a molecular weight of 363.82 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline
PubChem CID8966955
Molecular FormulaC22H15ClFNO
Molecular Weight363.82 g/mol
Exact Mass363.08
IUPAC Name6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H15ClFNO/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,1H3
InChIKeyCUFQSGKRMHLTCL-UHFFFAOYSA-N
XLogP6.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline (CID 8966955) is 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline is COc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The InChIKey is CUFQSGKRMHLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,1H3.
What are the key properties of 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline has a molecular weight of 363.82 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 8966955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).