N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide

C18H15ClN2O2 — CID 2921493

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22)
InChIKeyOGOXQDKTBGYXDB-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds3

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide (PubChem CID 2921493) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide
PubChem CID2921493
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22)
InChIKeyOGOXQDKTBGYXDB-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
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-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide (CID 2921493) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide?
The InChIKey is OGOXQDKTBGYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 2921493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).