N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C19H17N3O4 — CID 1291165

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c23-18(21-13-5-6-16-17(11-13)26-10-9-25-16)7-8-22-12-20-15-4-2-1-3-14(15)19(22)24/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyAJKKJUZSLUDGHZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.20
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 1291165) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID1291165
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c23-18(21-13-5-6-16-17(11-13)26-10-9-25-16)7-8-22-12-20-15-4-2-1-3-14(15)19(22)24/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyAJKKJUZSLUDGHZ-UHFFFAOYSA-N
XLogP2.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 1291165) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AJKKJUZSLUDGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18(21-13-5-6-16-17(11-13)26-10-9-25-16)7-8-22-12-20-15-4-2-1-3-14(15)19(22)24/h1-6,11-12H,7-10H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 351.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 1291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).