N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide

C22H22ClN3O3 — CID 16896806

IUPACN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccccc1Cl
InChIInChI=1S/C22H22ClN3O3/c23-18-6-2-1-4-17(18)14-24-21(27)15-29-19-7-3-5-16-8-9-20(25-22(16)19)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,24,27)
InChIKeyPVEQZMDAQJCEGM-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.42
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide

N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide (PubChem CID 16896806) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide
PubChem CID16896806
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccccc1Cl
InChIInChI=1S/C22H22ClN3O3/c23-18-6-2-1-4-17(18)14-24-21(27)15-29-19-7-3-5-16-8-9-20(25-22(16)19)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,24,27)
InChIKeyPVEQZMDAQJCEGM-UHFFFAOYSA-N
XLogP3.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide (CID 16896806) is N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide is O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide?
The InChIKey is PVEQZMDAQJCEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-18-6-2-1-4-17(18)14-24-21(27)15-29-19-7-3-5-16-8-9-20(25-22(16)19)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide?
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide has a molecular weight of 411.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 16896806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).