8-chloro-2-phenylquinoline-3-carbaldehyde

C16H10ClNO — CID 86701166

IUPAC8-chloro-2-phenylquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C16H10ClNO/c17-14-8-4-7-12-9-13(10-19)15(18-16(12)14)11-5-2-1-3-6-11/h1-10H
InChIKeyIWIXHSBUNYBXRX-UHFFFAOYSA-N
MW267.72 g/mol
LogP4.37
Rot. Bonds2

About 8-chloro-2-phenylquinoline-3-carbaldehyde

8-chloro-2-phenylquinoline-3-carbaldehyde (PubChem CID 86701166) has the molecular formula C16H10ClNO and a molecular weight of 267.72 g/mol. Its IUPAC name is 8-chloro-2-phenylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-phenylquinoline-3-carbaldehyde
PubChem CID86701166
Molecular FormulaC16H10ClNO
Molecular Weight267.72 g/mol
Exact Mass267.05
IUPAC Name8-chloro-2-phenylquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C16H10ClNO/c17-14-8-4-7-12-9-13(10-19)15(18-16(12)14)11-5-2-1-3-6-11/h1-10H
InChIKeyIWIXHSBUNYBXRX-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-2-phenylquinoline-3-carbaldehyde 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 8-chloro-2-phenylquinoline-3-carbaldehyde?
The IUPAC name of 8-chloro-2-phenylquinoline-3-carbaldehyde (CID 86701166) is 8-chloro-2-phenylquinoline-3-carbaldehyde.
What is the SMILES notation for 8-chloro-2-phenylquinoline-3-carbaldehyde?
The canonical SMILES for 8-chloro-2-phenylquinoline-3-carbaldehyde is O=Cc1cc2cccc(Cl)c2nc1-c1ccccc1.
What is the InChIKey of 8-chloro-2-phenylquinoline-3-carbaldehyde?
The InChIKey is IWIXHSBUNYBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO/c17-14-8-4-7-12-9-13(10-19)15(18-16(12)14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 8-chloro-2-phenylquinoline-3-carbaldehyde?
8-chloro-2-phenylquinoline-3-carbaldehyde has a molecular weight of 267.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenylquinoline-3-carbaldehyde is sourced from PubChem (CID 86701166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).