N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

C23H17ClN2O2 — CID 3132205

IUPACN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-18-11-8-16(9-12-18)20(26-23(28)17-5-2-1-3-6-17)19-13-10-15-7-4-14-25-21(15)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyPPZGYQXFVDWWQZ-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.11
Rot. Bonds4

About N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (PubChem CID 3132205) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
PubChem CID3132205
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-18-11-8-16(9-12-18)20(26-23(28)17-5-2-1-3-6-17)19-13-10-15-7-4-14-25-21(15)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyPPZGYQXFVDWWQZ-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-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (CID 3132205) is N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is O=C(NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The InChIKey is PPZGYQXFVDWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-18-11-8-16(9-12-18)20(26-23(28)17-5-2-1-3-6-17)19-13-10-15-7-4-14-25-21(15)22(19)27/h1-14,20,27H,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
N-[(4-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-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is sourced from PubChem (CID 3132205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).