4-(3-chloroquinolin-2-yl)benzamide

C16H11ClN2O — CID 164550210

IUPAC4-(3-chloroquinolin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3cc2Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-9-12-3-1-2-4-14(12)19-15(13)10-5-7-11(8-6-10)16(18)20/h1-9H,(H2,18,20)
InChIKeyVAUFNYIFBGVURZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.65
Rot. Bonds2

About 4-(3-chloroquinolin-2-yl)benzamide

4-(3-chloroquinolin-2-yl)benzamide (PubChem CID 164550210) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-(3-chloroquinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-chloroquinolin-2-yl)benzamide
PubChem CID164550210
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-(3-chloroquinolin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3cc2Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-9-12-3-1-2-4-14(12)19-15(13)10-5-7-11(8-6-10)16(18)20/h1-9H,(H2,18,20)
InChIKeyVAUFNYIFBGVURZ-UHFFFAOYSA-N
XLogP3.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloroquinolin-2-yl)benzamide 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 4-(3-chloroquinolin-2-yl)benzamide?
The IUPAC name of 4-(3-chloroquinolin-2-yl)benzamide (CID 164550210) is 4-(3-chloroquinolin-2-yl)benzamide.
What is the SMILES notation for 4-(3-chloroquinolin-2-yl)benzamide?
The canonical SMILES for 4-(3-chloroquinolin-2-yl)benzamide is NC(=O)c1ccc(-c2nc3ccccc3cc2Cl)cc1.
What is the InChIKey of 4-(3-chloroquinolin-2-yl)benzamide?
The InChIKey is VAUFNYIFBGVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-9-12-3-1-2-4-14(12)19-15(13)10-5-7-11(8-6-10)16(18)20/h1-9H,(H2,18,20).
What are the key properties of 4-(3-chloroquinolin-2-yl)benzamide?
4-(3-chloroquinolin-2-yl)benzamide has a molecular weight of 282.73 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroquinolin-2-yl)benzamide is sourced from PubChem (CID 164550210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).