N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H13N3O4 — CID 853388

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O4/c21-16(19-11-5-6-14-15(7-11)24-10-23-14)8-20-9-18-13-4-2-1-3-12(13)17(20)22/h1-7,9H,8,10H2,(H,19,21)
InChIKeyLPKIDALORSGRAW-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.76
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 853388) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID853388
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O4/c21-16(19-11-5-6-14-15(7-11)24-10-23-14)8-20-9-18-13-4-2-1-3-12(13)17(20)22/h1-7,9H,8,10H2,(H,19,21)
InChIKeyLPKIDALORSGRAW-UHFFFAOYSA-N
XLogP1.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 853388) is N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is LPKIDALORSGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-16(19-11-5-6-14-15(7-11)24-10-23-14)8-20-9-18-13-4-2-1-3-12(13)17(20)22/h1-7,9H,8,10H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 853388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).