2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C24H27N5O6 — CID 135519701

About 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135519701) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
• PubChem CID: 135519701
• Molecular Formula: C24H27N5O6
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.20
• IUPAC Name: 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
• SMILES: CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
• InChI: InChI=1S/C24H27N5O6/c1-6-29(11-21-25-15-9-19(34-4)17(32-2)7-13(15)23(30)27-21)12-22-26-16-10-20(35-5)18(33-3)8-14(16)24(31)28-22/h7-10H,6,11-12H2,1-5H3,(H,25,27,30)(H,26,28,31)
• InChIKey: HUKLRNRSSPAMGK-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 131.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?

The IUPAC name of 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 135519701) is 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

What is the SMILES notation for 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?

The canonical SMILES for 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.

What is the InChIKey of 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?

The InChIKey is HUKLRNRSSPAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6/c1-6-29(11-21-25-15-9-19(34-4)17(32-2)7-13(15)23(30)27-21)12-22-26-16-10-20(35-5)18(33-3)8-14(16)24(31)28-22/h7-10H,6,11-12H2,1-5H3,(H,25,27,30)(H,26,28,31).

What are the key properties of 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?

2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 481.51 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).