3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride

C21H16Cl2N2 — CID 18285323

IUPAC3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
SMILESCl.Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H15ClN2.ClH/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(24-20)15-7-4-8-17(23)11-15;/h1-13H,23H2;1H
InChIKeyNJXVAMBWGWYTTK-UHFFFAOYSA-N
MW367.28 g/mol
LogP6.23
Rot. Bonds2

About 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride

3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride (PubChem CID 18285323) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
PubChem CID18285323
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
SMILESCl.Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H15ClN2.ClH/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(24-20)15-7-4-8-17(23)11-15;/h1-13H,23H2;1H
InChIKeyNJXVAMBWGWYTTK-UHFFFAOYSA-N
XLogP6.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride?
The IUPAC name of 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride (CID 18285323) is 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride.
What is the SMILES notation for 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride?
The canonical SMILES for 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride is Cl.Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride?
The InChIKey is NJXVAMBWGWYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2.ClH/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(24-20)15-7-4-8-17(23)11-15;/h1-13H,23H2;1H.
What are the key properties of 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride?
3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride is sourced from PubChem (CID 18285323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).