N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide

C22H18N2O2 — CID 2872439

IUPACN-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H18N2O2/c1-14(25)24-20(18-9-8-15-5-2-3-6-17(15)13-18)19-11-10-16-7-4-12-23-21(16)22(19)26/h2-13,20,26H,1H3,(H,24,25)
InChIKeyXYWUROGWOKDNIK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds3

About N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide

N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide (PubChem CID 2872439) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide
PubChem CID2872439
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H18N2O2/c1-14(25)24-20(18-9-8-15-5-2-3-6-17(15)13-18)19-11-10-16-7-4-12-23-21(16)22(19)26/h2-13,20,26H,1H3,(H,24,25)
InChIKeyXYWUROGWOKDNIK-UHFFFAOYSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
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)-naphthalen-2-ylmethyl]acetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide (CID 2872439) is N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide is CC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide?
The InChIKey is XYWUROGWOKDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14(25)24-20(18-9-8-15-5-2-3-6-17(15)13-18)19-11-10-16-7-4-12-23-21(16)22(19)26/h2-13,20,26H,1H3,(H,24,25).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide?
N-[(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.32, 3 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)-naphthalen-2-ylmethyl]acetamide is sourced from PubChem (CID 2872439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).