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

C21H15ClN2 — CID 8966018

IUPAC3-(6-chloro-4-phenylquinolin-2-yl)aniline
SMILESNc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H15ClN2/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
InChIKeyGAIASYNMSBOFRL-UHFFFAOYSA-N
MW330.82 g/mol
LogP5.80
Rot. Bonds2

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

3-(6-chloro-4-phenylquinolin-2-yl)aniline (PubChem CID 8966018) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(6-chloro-4-phenylquinolin-2-yl)aniline.

Molecular Properties

Compound Name3-(6-chloro-4-phenylquinolin-2-yl)aniline
PubChem CID8966018
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name3-(6-chloro-4-phenylquinolin-2-yl)aniline
SMILESNc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H15ClN2/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
InChIKeyGAIASYNMSBOFRL-UHFFFAOYSA-N
XLogP5.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
CID 18285323
3-(6-chloroquinolin-2-yl)aniline
CID 44569223
3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol
CID 8966921
6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
CID 8965952
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
CID 155387914
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
CID 143332124
N-[3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]acetamide
CID 8966981
2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 12736047
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-phenylquinolin-2-yl)aniline?
The IUPAC name of 3-(6-chloro-4-phenylquinolin-2-yl)aniline (CID 8966018) is 3-(6-chloro-4-phenylquinolin-2-yl)aniline.
What is the SMILES notation for 3-(6-chloro-4-phenylquinolin-2-yl)aniline?
The canonical SMILES for 3-(6-chloro-4-phenylquinolin-2-yl)aniline is Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 3-(6-chloro-4-phenylquinolin-2-yl)aniline?
The InChIKey is GAIASYNMSBOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/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.
What are the key properties of 3-(6-chloro-4-phenylquinolin-2-yl)aniline?
3-(6-chloro-4-phenylquinolin-2-yl)aniline has a molecular weight of 330.82 g/mol, XLogP of 5.80, 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 is sourced from PubChem (CID 8966018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).