3-(2-chloroquinolin-3-yl)aniline

C15H11ClN2 — CID 116985209

IUPAC3-(2-chloroquinolin-3-yl)aniline
SMILESNc1cccc(-c2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C15H11ClN2/c16-15-13(10-5-3-6-12(17)8-10)9-11-4-1-2-7-14(11)18-15/h1-9H,17H2
InChIKeyVJAWGLZGCGXYNI-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.14
Rot. Bonds1

About 3-(2-chloroquinolin-3-yl)aniline

3-(2-chloroquinolin-3-yl)aniline (PubChem CID 116985209) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(2-chloroquinolin-3-yl)aniline.

Molecular Properties

Compound Name3-(2-chloroquinolin-3-yl)aniline
PubChem CID116985209
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3-(2-chloroquinolin-3-yl)aniline
SMILESNc1cccc(-c2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C15H11ClN2/c16-15-13(10-5-3-6-12(17)8-10)9-11-4-1-2-7-14(11)18-15/h1-9H,17H2
InChIKeyVJAWGLZGCGXYNI-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-acridin-9-ylaniline
CID 87131444
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine
CID 176729805
3-(2-chlorophenyl)aniline;ethane
CID 142211425
3-isoquinolin-4-ylaniline
CID 22724137
3-(6-chloroquinolin-2-yl)aniline
CID 44569223
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
2-(3-aminophenyl)-1,3-benzothiazol-1-ium-1-amine
CID 172814253
2-chloro-3-(2-methoxyphenyl)quinoline
CID 13200184
2-chloroquinolin-3-amine;quinolin-3-amine
CID 87752859

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-3-yl)aniline?
The IUPAC name of 3-(2-chloroquinolin-3-yl)aniline (CID 116985209) is 3-(2-chloroquinolin-3-yl)aniline.
What is the SMILES notation for 3-(2-chloroquinolin-3-yl)aniline?
The canonical SMILES for 3-(2-chloroquinolin-3-yl)aniline is Nc1cccc(-c2cc3ccccc3nc2Cl)c1.
What is the InChIKey of 3-(2-chloroquinolin-3-yl)aniline?
The InChIKey is VJAWGLZGCGXYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-15-13(10-5-3-6-12(17)8-10)9-11-4-1-2-7-14(11)18-15/h1-9H,17H2.
What are the key properties of 3-(2-chloroquinolin-3-yl)aniline?
3-(2-chloroquinolin-3-yl)aniline has a molecular weight of 254.72 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-3-yl)aniline is sourced from PubChem (CID 116985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).