2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine

C20H13ClFN3 — CID 70660103

IUPAC2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C20H13ClFN3/c21-17-6-5-13(22)11-16(17)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20/h1-12H,(H,23,24,25)
InChIKeyXLDWRXCSCCMDOL-UHFFFAOYSA-N
MW349.80 g/mol
LogP5.83
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine

2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine (PubChem CID 70660103) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
PubChem CID70660103
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C20H13ClFN3/c21-17-6-5-13(22)11-16(17)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20/h1-12H,(H,23,24,25)
InChIKeyXLDWRXCSCCMDOL-UHFFFAOYSA-N
XLogP5.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.80
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine (CID 70660103) is 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine is Fc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is XLDWRXCSCCMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3/c21-17-6-5-13(22)11-16(17)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20/h1-12H,(H,23,24,25).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 349.80 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 70660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).