2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide

C21H16N2O4 — CID 1283385

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cccc4cccnc34)ccc12
InChIInChI=1S/C21H16N2O4/c1-13-10-20(25)27-18-11-15(7-8-16(13)18)26-12-19(24)23-17-6-2-4-14-5-3-9-22-21(14)17/h2-11H,12H2,1H3,(H,23,24)
InChIKeyZLWRHEWUPXTRFT-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide (PubChem CID 1283385) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
PubChem CID1283385
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cccc4cccnc34)ccc12
InChIInChI=1S/C21H16N2O4/c1-13-10-20(25)27-18-11-15(7-8-16(13)18)26-12-19(24)23-17-6-2-4-14-5-3-9-22-21(14)17/h2-11H,12H2,1H3,(H,23,24)
InChIKeyZLWRHEWUPXTRFT-UHFFFAOYSA-N
XLogP3.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide (CID 1283385) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4cccnc34)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide?
The InChIKey is ZLWRHEWUPXTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-10-20(25)27-18-11-15(7-8-16(13)18)26-12-19(24)23-17-6-2-4-14-5-3-9-22-21(14)17/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide has a molecular weight of 360.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide is sourced from PubChem (CID 1283385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).