4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C24H21N5O4 — CID 42642190

About 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 42642190) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
• PubChem CID: 42642190
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc3nc(N(C)c4cccc5c4OCCO5)ncc3c2)ccn1
• InChI: InChI=1S/C24H21N5O4/c1-25-23(30)19-13-17(8-9-26-19)33-16-6-7-18-15(12-16)14-27-24(28-18)29(2)20-4-3-5-21-22(20)32-11-10-31-21/h3-9,12-14H,10-11H2,1-2H3,(H,25,30)
• InChIKey: OODVPTRPJLDWFS-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 98.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 42642190) is 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(N(C)c4cccc5c4OCCO5)ncc3c2)ccn1.

What is the InChIKey of 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The InChIKey is OODVPTRPJLDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-25-23(30)19-13-17(8-9-26-19)33-16-6-7-18-15(12-16)14-27-24(28-18)29(2)20-4-3-5-21-22(20)32-11-10-31-21/h3-9,12-14H,10-11H2,1-2H3,(H,25,30).

What are the key properties of 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?

4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 42642190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).