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

C22H16ClFN2 — CID 22598383

IUPAC6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C22H16ClFN2/c1-25-22-13-21(15-5-4-6-16(24)11-15)26-20-10-9-14(12-18(20)22)17-7-2-3-8-19(17)23/h2-13H,1H3,(H,25,26)
InChIKeyPUXREIGWTMZRAY-UHFFFAOYSA-N
MW362.84 g/mol
LogP6.40
Rot. Bonds3

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

6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (PubChem CID 22598383) has the molecular formula C22H16ClFN2 and a molecular weight of 362.84 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
PubChem CID22598383
Molecular FormulaC22H16ClFN2
Molecular Weight362.84 g/mol
Exact Mass362.10
IUPAC Name6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C22H16ClFN2/c1-25-22-13-21(15-5-4-6-16(24)11-15)26-20-10-9-14(12-18(20)22)17-7-2-3-8-19(17)23/h2-13H,1H3,(H,25,26)
InChIKeyPUXREIGWTMZRAY-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-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (CID 22598383) is 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is CNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccccc3Cl)cc12.
What is the InChIKey of 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The InChIKey is PUXREIGWTMZRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2/c1-25-22-13-21(15-5-4-6-16(24)11-15)26-20-10-9-14(12-18(20)22)17-7-2-3-8-19(17)23/h2-13H,1H3,(H,25,26).
What are the key properties of 6-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
6-(2-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-(2-chlorophenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 22598383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).