3-(6-chloroquinolin-2-yl)aniline

C15H11ClN2 — CID 44569223

IUPAC3-(6-chloroquinolin-2-yl)aniline
SMILESNc1cccc(-c2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H11ClN2/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-9H,17H2
InChIKeyGQKQBCYAZVUHJX-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.14
Rot. Bonds1

About 3-(6-chloroquinolin-2-yl)aniline

3-(6-chloroquinolin-2-yl)aniline (PubChem CID 44569223) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(6-chloroquinolin-2-yl)aniline.

Molecular Properties

Compound Name3-(6-chloroquinolin-2-yl)aniline
PubChem CID44569223
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3-(6-chloroquinolin-2-yl)aniline
SMILESNc1cccc(-c2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H11ClN2/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-9H,17H2
InChIKeyGQKQBCYAZVUHJX-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinolin-2-yl)aniline?
The IUPAC name of 3-(6-chloroquinolin-2-yl)aniline (CID 44569223) is 3-(6-chloroquinolin-2-yl)aniline.
What is the SMILES notation for 3-(6-chloroquinolin-2-yl)aniline?
The canonical SMILES for 3-(6-chloroquinolin-2-yl)aniline is Nc1cccc(-c2ccc3cc(Cl)ccc3n2)c1.
What is the InChIKey of 3-(6-chloroquinolin-2-yl)aniline?
The InChIKey is GQKQBCYAZVUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-9H,17H2.
What are the key properties of 3-(6-chloroquinolin-2-yl)aniline?
3-(6-chloroquinolin-2-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-(6-chloroquinolin-2-yl)aniline is sourced from PubChem (CID 44569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).