6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine

C23H18ClFN2 — CID 22598389

IUPAC6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3cc(C)cc(Cl)c3)cc12
InChIInChI=1S/C23H18ClFN2/c1-14-8-17(10-18(24)9-14)15-6-7-21-20(12-15)23(26-2)13-22(27-21)16-4-3-5-19(25)11-16/h3-13H,1-2H3,(H,26,27)
InChIKeyYVKOIEPCHKNCQP-UHFFFAOYSA-N
MW376.86 g/mol
LogP6.71
Rot. Bonds3

About 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine

6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (PubChem CID 22598389) has the molecular formula C23H18ClFN2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
PubChem CID22598389
Molecular FormulaC23H18ClFN2
Molecular Weight376.86 g/mol
Exact Mass376.11
IUPAC Name6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc2ccc(-c3cc(C)cc(Cl)c3)cc12
InChIInChI=1S/C23H18ClFN2/c1-14-8-17(10-18(24)9-14)15-6-7-21-20(12-15)23(26-2)13-22(27-21)16-4-3-5-19(25)11-16/h3-13H,1-2H3,(H,26,27)
InChIKeyYVKOIEPCHKNCQP-UHFFFAOYSA-N
XLogP6.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.86
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The IUPAC name of 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine (CID 22598389) is 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is CNc1cc(-c2cccc(F)c2)nc2ccc(-c3cc(C)cc(Cl)c3)cc12.
What is the InChIKey of 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
The InChIKey is YVKOIEPCHKNCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2/c1-14-8-17(10-18(24)9-14)15-6-7-21-20(12-15)23(26-2)13-22(27-21)16-4-3-5-19(25)11-16/h3-13H,1-2H3,(H,26,27).
What are the key properties of 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine?
6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine has a molecular weight of 376.86 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-methylphenyl)-2-(3-fluorophenyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 22598389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).