2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide

C19H13N3O5 — CID 42506993

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H13N3O5/c23-16(20-12-6-7-15-11(9-12)5-8-17(24)27-15)10-22-18(25)13-3-1-2-4-14(13)21-19(22)26/h1-9H,10H2,(H,20,23)(H,21,26)
InChIKeyKHUWEMKMFQSBPM-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.43
Rot. Bonds3

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 42506993) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
PubChem CID42506993
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H13N3O5/c23-16(20-12-6-7-15-11(9-12)5-8-17(24)27-15)10-22-18(25)13-3-1-2-4-14(13)21-19(22)26/h1-9H,10H2,(H,20,23)(H,21,26)
InChIKeyKHUWEMKMFQSBPM-UHFFFAOYSA-N
XLogP1.43
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
2-(9-oxoacridin-10-yl)-N-(2-oxochromen-6-yl)acetamide
CID 47059966
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55666399
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 45495167
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide (CID 42506993) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is KHUWEMKMFQSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-16(20-12-6-7-15-11(9-12)5-8-17(24)27-15)10-22-18(25)13-3-1-2-4-14(13)21-19(22)26/h1-9H,10H2,(H,20,23)(H,21,26).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 363.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 42506993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).