6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine

C22H16ClFN2 — CID 22598384

IUPAC6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H16ClFN2/c1-25-22-13-21(16-3-2-4-18(24)11-16)26-20-10-7-15(12-19(20)22)14-5-8-17(23)9-6-14/h2-13H,1H3,(H,25,26)
InChIKeyFNRUYBCLBSOLMC-UHFFFAOYSA-N
MW362.84 g/mol
LogP6.40
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine

6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (PubChem CID 22598384) has the molecular formula C22H16ClFN2 and a molecular weight of 362.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
PubChem CID22598384
Molecular FormulaC22H16ClFN2
Molecular Weight362.84 g/mol
Exact Mass362.10
IUPAC Name6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H16ClFN2/c1-25-22-13-21(16-3-2-4-18(24)11-16)26-20-10-7-15(12-19(20)22)14-5-8-17(23)9-6-14/h2-13H,1H3,(H,25,26)
InChIKeyFNRUYBCLBSOLMC-UHFFFAOYSA-N
XLogP6.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.84
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (CID 22598384) is 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is CNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The InChIKey is FNRUYBCLBSOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2/c1-25-22-13-21(16-3-2-4-18(24)11-16)26-20-10-7-15(12-19(20)22)14-5-8-17(23)9-6-14/h2-13H,1H3,(H,25,26).
What are the key properties of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine has a molecular weight of 362.84 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 22598384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).