4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

C23H17FN2O2 — CID 146474891

IUPAC4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2/c24-18-11-8-17(9-12-18)23(28)26-20(15-5-2-1-3-6-15)19-13-10-16-7-4-14-25-21(16)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyIKMKYOASNTUSEF-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.60
Rot. Bonds4

About 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (PubChem CID 146474891) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
PubChem CID146474891
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2/c24-18-11-8-17(9-12-18)23(28)26-20(15-5-2-1-3-6-15)19-13-10-16-7-4-14-25-21(16)22(19)27/h1-14,20,27H,(H,26,28)
InChIKeyIKMKYOASNTUSEF-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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Related Compounds

4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
CID 146474860
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (CID 146474891) is 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The InChIKey is IKMKYOASNTUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-18-11-8-17(9-12-18)23(28)26-20(15-5-2-1-3-6-15)19-13-10-16-7-4-14-25-21(16)22(19)27/h1-14,20,27H,(H,26,28).
What are the key properties of 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]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 4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 146474891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).