(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium

C23H29N4O4+ — CID 135808641

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium (PubChem CID 135808641) has the molecular formula C23H29N4O4+ and a molecular weight of 425.51 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
• PubChem CID: 135808641
• Molecular Formula: C23H29N4O4+
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.22
• IUPAC Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
• SMILES: CC[NH+](CC(=O)Nc1cc(C)ccc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
• InChI: InChI=1S/C23H28N4O4/c1-6-27(13-22(28)25-17-9-14(2)7-8-15(17)3)12-21-24-18-11-20(31-5)19(30-4)10-16(18)23(29)26-21/h7-11H,6,12-13H2,1-5H3,(H,25,28)(H,24,26,29)/p+1
• InChIKey: MHNWCHXGSDPPAQ-UHFFFAOYSA-O
• XLogP: 1.60
• TPSA: 97.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?

The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium (CID 135808641) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium.

What is the SMILES notation for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?

The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cc(C)ccc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.

What is the InChIKey of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?

The InChIKey is MHNWCHXGSDPPAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4O4/c1-6-27(13-22(28)25-17-9-14(2)7-8-15(17)3)12-21-24-18-11-20(31-5)19(30-4)10-16(18)23(29)26-21/h7-11H,6,12-13H2,1-5H3,(H,25,28)(H,24,26,29)/p+1.

What are the key properties of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 425.51 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 135808641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).