2,6-dichloro-N-quinolin-5-ylquinolin-4-amine

C18H11Cl2N3 — CID 138392376

IUPAC2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
SMILESClc1ccc2nc(Cl)cc(Nc3cccc4ncccc34)c2c1
InChIInChI=1S/C18H11Cl2N3/c19-11-6-7-16-13(9-11)17(10-18(20)23-16)22-15-5-1-4-14-12(15)3-2-8-21-14/h1-10H,(H,22,23)
InChIKeyGROYJTGSGFBZPD-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.83
Rot. Bonds2

About 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine

2,6-dichloro-N-quinolin-5-ylquinolin-4-amine (PubChem CID 138392376) has the molecular formula C18H11Cl2N3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
PubChem CID138392376
Molecular FormulaC18H11Cl2N3
Molecular Weight340.21 g/mol
Exact Mass339.03
IUPAC Name2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
SMILESClc1ccc2nc(Cl)cc(Nc3cccc4ncccc34)c2c1
InChIInChI=1S/C18H11Cl2N3/c19-11-6-7-16-13(9-11)17(10-18(20)23-16)22-15-5-1-4-14-12(15)3-2-8-21-14/h1-10H,(H,22,23)
InChIKeyGROYJTGSGFBZPD-UHFFFAOYSA-N
XLogP5.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine?
The IUPAC name of 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine (CID 138392376) is 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine?
The canonical SMILES for 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine is Clc1ccc2nc(Cl)cc(Nc3cccc4ncccc34)c2c1.
What is the InChIKey of 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine?
The InChIKey is GROYJTGSGFBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3/c19-11-6-7-16-13(9-11)17(10-18(20)23-16)22-15-5-1-4-14-12(15)3-2-8-21-14/h1-10H,(H,22,23).
What are the key properties of 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine?
2,6-dichloro-N-quinolin-5-ylquinolin-4-amine has a molecular weight of 340.21 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-quinolin-5-ylquinolin-4-amine is sourced from PubChem (CID 138392376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).