N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide

C18H15FN2O2 — CID 2872181

IUPACN-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(F)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15FN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)
InChIKeyQESNZRSXQKRWFA-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.31
Rot. Bonds3

About N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide

N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (PubChem CID 2872181) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
PubChem CID2872181
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(F)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15FN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)
InChIKeyQESNZRSXQKRWFA-UHFFFAOYSA-N
XLogP3.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
CID 19233197
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (CID 2872181) is N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide is CC(=O)NC(c1ccc(F)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The InChIKey is QESNZRSXQKRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 2872181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).