N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide

C24H20N2O2 — CID 2877003

IUPACN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H20N2O2/c27-21(16-17-8-3-1-4-9-17)26-22(18-10-5-2-6-11-18)20-14-13-19-12-7-15-25-23(19)24(20)28/h1-15,22,28H,16H2,(H,26,27)
InChIKeyUFBVIJHBWGURQK-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.39
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide

N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide (PubChem CID 2877003) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide
PubChem CID2877003
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H20N2O2/c27-21(16-17-8-3-1-4-9-17)26-22(18-10-5-2-6-11-18)20-14-13-19-12-7-15-25-23(19)24(20)28/h1-15,22,28H,16H2,(H,26,27)
InChIKeyUFBVIJHBWGURQK-UHFFFAOYSA-N
XLogP4.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.39
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-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide (CID 2877003) is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide?
The InChIKey is UFBVIJHBWGURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-21(16-17-8-3-1-4-9-17)26-22(18-10-5-2-6-11-18)20-14-13-19-12-7-15-25-23(19)24(20)28/h1-15,22,28H,16H2,(H,26,27).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide?
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide has a molecular weight of 368.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenylacetamide is sourced from PubChem (CID 2877003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).