N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

C23H17ClN2O2 — CID 24958912

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-19-14-18(22(27)21-17(19)12-7-13-25-21)20(15-8-3-1-4-9-15)26-23(28)16-10-5-2-6-11-16/h1-14,20,27H,(H,26,28)
InChIKeyMEMCKFNZZFEWRN-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.11
Rot. Bonds4

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (PubChem CID 24958912) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
PubChem CID24958912
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c24-19-14-18(22(27)21-17(19)12-7-13-25-21)20(15-8-3-1-4-9-15)26-23(28)16-10-5-2-6-11-16/h1-14,20,27H,(H,26,28)
InChIKeyMEMCKFNZZFEWRN-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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Related Compounds

N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2259163
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid
CID 69307133
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 159008930

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (CID 24958912) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The InChIKey is MEMCKFNZZFEWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-19-14-18(22(27)21-17(19)12-7-13-25-21)20(15-8-3-1-4-9-15)26-23(28)16-10-5-2-6-11-16/h1-14,20,27H,(H,26,28).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]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-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 24958912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).