N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C20H15N3O5 — CID 20855484

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H15N3O5/c24-18(22-12-5-6-16-17(9-12)27-8-7-26-16)11-23-19-13-3-1-2-4-15(13)28-20(25)14(19)10-21-23/h1-6,9-10H,7-8,11H2,(H,22,24)
InChIKeyFMCHJJRXXRRGPE-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.55
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20855484) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20855484
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H15N3O5/c24-18(22-12-5-6-16-17(9-12)27-8-7-26-16)11-23-19-13-3-1-2-4-15(13)28-20(25)14(19)10-21-23/h1-6,9-10H,7-8,11H2,(H,22,24)
InChIKeyFMCHJJRXXRRGPE-UHFFFAOYSA-N
XLogP2.55
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20855484) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is FMCHJJRXXRRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-18(22-12-5-6-16-17(9-12)27-8-7-26-16)11-23-19-13-3-1-2-4-15(13)28-20(25)14(19)10-21-23/h1-6,9-10H,7-8,11H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 377.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20855484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).