N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C22H18N2O5 — CID 71826068

IUPACN-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cnc2c1
InChIInChI=1S/C22H18N2O5/c1-13-7-22(26)29-20-10-17(5-6-18(13)20)28-12-21(25)24-15-8-14-3-4-16(27-2)9-19(14)23-11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyGLHUUUYWKRXCHJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.68
Rot. Bonds5

About N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 71826068) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID71826068
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC NameN-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cnc2c1
InChIInChI=1S/C22H18N2O5/c1-13-7-22(26)29-20-10-17(5-6-18(13)20)28-12-21(25)24-15-8-14-3-4-16(27-2)9-19(14)23-11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyGLHUUUYWKRXCHJ-UHFFFAOYSA-N
XLogP3.68
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
N-(7-methoxyquinolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 95744870
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2430791
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 71826068) is N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is COc1ccc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cnc2c1.
What is the InChIKey of N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GLHUUUYWKRXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-13-7-22(26)29-20-10-17(5-6-18(13)20)28-12-21(25)24-15-8-14-3-4-16(27-2)9-19(14)23-11-15/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 390.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 71826068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).