2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine

C20H13ClFN3 — CID 11291030

IUPAC2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2cccc(Cl)c2)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H13ClFN3/c21-14-5-3-4-13(12-14)19-18(22)20(24-15-8-10-23-11-9-15)16-6-1-2-7-17(16)25-19/h1-12H,(H,23,24,25)
InChIKeyFEQULRXEKBQZDA-UHFFFAOYSA-N
MW349.80 g/mol
LogP5.83
Rot. Bonds3

About 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine

2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine (PubChem CID 11291030) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
PubChem CID11291030
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC Name2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2cccc(Cl)c2)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H13ClFN3/c21-14-5-3-4-13(12-14)19-18(22)20(24-15-8-10-23-11-9-15)16-6-1-2-7-17(16)25-19/h1-12H,(H,23,24,25)
InChIKeyFEQULRXEKBQZDA-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-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine (CID 11291030) is 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine is Fc1c(-c2cccc(Cl)c2)nc2ccccc2c1Nc1ccncc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is FEQULRXEKBQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3/c21-14-5-3-4-13(12-14)19-18(22)20(24-15-8-10-23-11-9-15)16-6-1-2-7-17(16)25-19/h1-12H,(H,23,24,25).
What are the key properties of 2-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
2-(3-chlorophenyl)-3-fluoro-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-(3-chlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 11291030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).