3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

C18H12ClNO — CID 10017305

IUPAC3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
InChIKeyJTRDWIOIDMLMNN-XBXARRHUSA-N
MW293.75 g/mol
LogP4.87
Rot. Bonds3

About 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde (PubChem CID 10017305) has the molecular formula C18H12ClNO and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
PubChem CID10017305
Molecular FormulaC18H12ClNO
Molecular Weight293.75 g/mol
Exact Mass293.06
IUPAC Name3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
InChIKeyJTRDWIOIDMLMNN-XBXARRHUSA-N
XLogP4.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde (CID 10017305) is 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde is O=Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde?
The InChIKey is JTRDWIOIDMLMNN-XBXARRHUSA-N. The full InChI is InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+.
What are the key properties of 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde?
3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde has a molecular weight of 293.75 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde is sourced from PubChem (CID 10017305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).