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

C19H17N3O4 — CID 30510117

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)18(23)10-22-11-20-15-5-3-2-4-14(15)19(22)24/h2-8,11H,9-10,12H2,1H3
InChIKeyIDJNZGJTMGAOFA-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.78
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 30510117) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID30510117
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)18(23)10-22-11-20-15-5-3-2-4-14(15)19(22)24/h2-8,11H,9-10,12H2,1H3
InChIKeyIDJNZGJTMGAOFA-UHFFFAOYSA-N
XLogP1.78
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 30510117) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is IDJNZGJTMGAOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)18(23)10-22-11-20-15-5-3-2-4-14(15)19(22)24/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 30510117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).