(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium

C18H27N4O4+ — CID 135808683

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 135808683) has the molecular formula C18H27N4O4+ and a molecular weight of 363.44 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium
• PubChem CID: 135808683
• Molecular Formula: C18H27N4O4+
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.20
• IUPAC Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium
• SMILES: CCCNC(=O)C[NH+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
• InChI: InChI=1S/C18H26N4O4/c1-5-7-19-17(23)11-22(6-2)10-16-20-13-9-15(26-4)14(25-3)8-12(13)18(24)21-16/h8-9H,5-7,10-11H2,1-4H3,(H,19,23)(H,20,21,24)/p+1
• InChIKey: CLSNAJGAWOQJRG-UHFFFAOYSA-O
• XLogP: -0.13
• TPSA: 97.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	-0.13
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-ethyl-[2-oxo-2-(propylamino)ethyl]azanium?

The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 135808683) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium.

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

The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.

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

The InChIKey is CLSNAJGAWOQJRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N4O4/c1-5-7-19-17(23)11-22(6-2)10-16-20-13-9-15(26-4)14(25-3)8-12(13)18(24)21-16/h8-9H,5-7,10-11H2,1-4H3,(H,19,23)(H,20,21,24)/p+1.

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

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 363.44 g/mol, XLogP of -0.13, 9 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-ethyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 135808683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).