N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C23H21N3O6 — CID 71826913

IUPACN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOCCn1cnc2ccc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2c1=O
InChIInChI=1S/C23H21N3O6/c1-14-9-22(28)32-20-11-16(4-5-17(14)20)31-12-21(27)25-15-3-6-19-18(10-15)23(29)26(13-24-19)7-8-30-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,27)
InChIKeyLSOYPQNNCCTVHM-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.48
Rot. Bonds7

About N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 71826913) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID71826913
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOCCn1cnc2ccc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2c1=O
InChIInChI=1S/C23H21N3O6/c1-14-9-22(28)32-20-11-16(4-5-17(14)20)31-12-21(27)25-15-3-6-19-18(10-15)23(29)26(13-24-19)7-8-30-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,27)
InChIKeyLSOYPQNNCCTVHM-UHFFFAOYSA-N
XLogP2.48
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71753500
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826068
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 71826913) is N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is COCCn1cnc2ccc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2c1=O.
What is the InChIKey of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is LSOYPQNNCCTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-14-9-22(28)32-20-11-16(4-5-17(14)20)31-12-21(27)25-15-3-6-19-18(10-15)23(29)26(13-24-19)7-8-30-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 435.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 71826913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).