N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

C23H17ClN2O2 — CID 3132206

IUPACN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1Cl)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28)
InChIKeyGPLKKGFSUQUXNI-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.11
Rot. Bonds4

About N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (PubChem CID 3132206) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
PubChem CID3132206
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1Cl)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28)
InChIKeyGPLKKGFSUQUXNI-UHFFFAOYSA-N
XLogP5.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (CID 3132206) is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is O=C(NC(c1ccccc1Cl)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The InChIKey is GPLKKGFSUQUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide has a molecular weight of 388.85 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is sourced from PubChem (CID 3132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).