N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide

C21H17N3O4 — CID 171387743

IUPACN-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H17N3O4/c1-24(12-15-11-22-17-4-2-3-5-18(17)23-15)20(25)13-27-16-8-6-14-7-9-21(26)28-19(14)10-16/h2-11H,12-13H2,1H3
InChIKeySUKQVELTURKWQE-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide

N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide (PubChem CID 171387743) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
PubChem CID171387743
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H17N3O4/c1-24(12-15-11-22-17-4-2-3-5-18(17)23-15)20(25)13-27-16-8-6-14-7-9-21(26)28-19(14)10-16/h2-11H,12-13H2,1H3
InChIKeySUKQVELTURKWQE-UHFFFAOYSA-N
XLogP2.77
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide (CID 171387743) is N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide is CN(Cc1cnc2ccccc2n1)C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide?
The InChIKey is SUKQVELTURKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-24(12-15-11-22-17-4-2-3-5-18(17)23-15)20(25)13-27-16-8-6-14-7-9-21(26)28-19(14)10-16/h2-11H,12-13H2,1H3.
What are the key properties of N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide?
N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide is sourced from PubChem (CID 171387743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).