N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

C23H17FN2O2 — CID 2871922

IUPACN-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1cccc(F)c1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-18-10-4-8-17(14-18)20(26-23(28)16-6-2-1-3-7-16)19-12-11-15-9-5-13-25-21(15)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyMDSGIMBITVKYCL-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.60
Rot. Bonds4

About N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (PubChem CID 2871922) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
PubChem CID2871922
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC NameN-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1cccc(F)c1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-18-10-4-8-17(14-18)20(26-23(28)16-6-2-1-3-7-16)19-12-11-15-9-5-13-25-21(15)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyMDSGIMBITVKYCL-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.60
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-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (CID 2871922) is N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is O=C(NC(c1cccc(F)c1)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The InChIKey is MDSGIMBITVKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-18-10-4-8-17(14-18)20(26-23(28)16-6-2-1-3-7-16)19-12-11-15-9-5-13-25-21(15)22(19)27/h1-14,20,27H,(H,26,28).
What are the key properties of N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is sourced from PubChem (CID 2871922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).