2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline

C22H17ClN2O — CID 155387914

IUPAC2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccccc3N)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,24H2,1H3
InChIKeySETACWXACOWXFG-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.81
Rot. Bonds3

About 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline

2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline (PubChem CID 155387914) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
PubChem CID155387914
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccccc3N)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,24H2,1H3
InChIKeySETACWXACOWXFG-UHFFFAOYSA-N
XLogP5.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 12736047
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
3-(6-chloro-4-phenylquinolin-2-yl)aniline
CID 8966018
2-[6-methyl-2-(4-nitrophenyl)quinolin-4-yl]aniline
CID 155387923
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
CID 18285323
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6883884
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
CID 23856286
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline?
The IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline (CID 155387914) is 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline?
The canonical SMILES for 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline is COc1ccc(-c2cc(-c3ccccc3N)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline?
The InChIKey is SETACWXACOWXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c1-26-16-9-6-14(7-10-16)22-13-18(17-4-2-3-5-20(17)24)19-12-15(23)8-11-21(19)25-22/h2-13H,24H2,1H3.
What are the key properties of 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline?
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline has a molecular weight of 360.84 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline is sourced from PubChem (CID 155387914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).