2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine

C20H12Cl2FN3 — CID 11394989

IUPAC2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2c(Cl)cccc2Cl)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H12Cl2FN3/c21-14-5-3-6-15(22)17(14)20-18(23)19(25-12-8-10-24-11-9-12)13-4-1-2-7-16(13)26-20/h1-11H,(H,24,25,26)
InChIKeyQZHXKHQQJSZDQV-UHFFFAOYSA-N
MW384.24 g/mol
LogP6.49
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine

2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine (PubChem CID 11394989) has the molecular formula C20H12Cl2FN3 and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
PubChem CID11394989
Molecular FormulaC20H12Cl2FN3
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2c(Cl)cccc2Cl)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H12Cl2FN3/c21-14-5-3-6-15(22)17(14)20-18(23)19(25-12-8-10-24-11-9-12)13-4-1-2-7-16(13)26-20/h1-11H,(H,24,25,26)
InChIKeyQZHXKHQQJSZDQV-UHFFFAOYSA-N
XLogP6.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine (CID 11394989) is 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine is Fc1c(-c2c(Cl)cccc2Cl)nc2ccccc2c1Nc1ccncc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is QZHXKHQQJSZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3/c21-14-5-3-6-15(22)17(14)20-18(23)19(25-12-8-10-24-11-9-12)13-4-1-2-7-16(13)26-20/h1-11H,(H,24,25,26).
What are the key properties of 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine?
2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 384.24 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-fluoro-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 11394989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).