N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide

C17H14ClN3O2 — CID 127032318

IUPACN-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c1-11-17(21-15-5-3-2-4-14(15)19-11)23-10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyXAYKWPCBJDRAQN-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.61
Rot. Bonds4

About N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide

N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide (PubChem CID 127032318) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
PubChem CID127032318
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c1-11-17(21-15-5-3-2-4-14(15)19-11)23-10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyXAYKWPCBJDRAQN-UHFFFAOYSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide (CID 127032318) is N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide is Cc1nc2ccccc2nc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The InChIKey is XAYKWPCBJDRAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-17(21-15-5-3-2-4-14(15)19-11)23-10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide has a molecular weight of 327.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide is sourced from PubChem (CID 127032318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).