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

C20H19N3O4 — CID 136662226

About 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 136662226) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• PubChem CID: 136662226
• Molecular Formula: C20H19N3O4
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.14
• IUPAC Name: 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• SMILES: Cc1cc2c(cc1C(=O)NCCc1nc3ccccc3c(=O)[nH]1)OCCO2
• InChI: InChI=1S/C20H19N3O4/c1-12-10-16-17(27-9-8-26-16)11-14(12)19(24)21-7-6-18-22-15-5-3-2-4-13(15)20(25)23-18/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,22,23,25)
• InChIKey: GZPKDNXGKTWXJP-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 93.31 Ų
• H-Bond Donors: 2
• 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	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The IUPAC name of 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 136662226) is 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

What is the SMILES notation for 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The canonical SMILES for 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)NCCc1nc3ccccc3c(=O)[nH]1)OCCO2.

What is the InChIKey of 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The InChIKey is GZPKDNXGKTWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-10-16-17(27-9-8-26-16)11-14(12)19(24)21-7-6-18-22-15-5-3-2-4-13(15)20(25)23-18/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,22,23,25).

What are the key properties of 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 136662226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).