N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H19N3O4 — CID 135821016

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 135821016) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• PubChem CID: 135821016
• Molecular Formula: C20H19N3O4
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.14
• IUPAC Name: N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C20H19N3O4/c1-2-23(12-18-21-15-6-4-3-5-14(15)19(24)22-18)20(25)13-7-8-16-17(11-13)27-10-9-26-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,22,24)
• InChIKey: XCRWEZQMVFSSQQ-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 84.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 135821016) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The InChIKey is XCRWEZQMVFSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-23(12-18-21-15-6-4-3-5-14(15)19(24)22-18)20(25)13-7-8-16-17(11-13)27-10-9-26-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,22,24).

What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 135821016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).