(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium

C21H26N3O6+ — CID 135808553

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium (PubChem CID 135808553) has the molecular formula C21H26N3O6+ and a molecular weight of 416.45 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium
• PubChem CID: 135808553
• Molecular Formula: C21H26N3O6+
• Molecular Weight: 416.45 g/mol
• Exact Mass: 416.18
• IUPAC Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium
• SMILES: CC[NH+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1cc(C(=O)OC)c(C)o1
• InChI: InChI=1S/C21H25N3O6/c1-6-24(10-13-7-14(12(2)30-13)21(26)29-5)11-19-22-16-9-18(28-4)17(27-3)8-15(16)20(25)23-19/h7-9H,6,10-11H2,1-5H3,(H,22,23,25)/p+1
• InChIKey: FIYVDJDRICSJGP-UHFFFAOYSA-O
• XLogP: 1.23
• TPSA: 108.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.45
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium?

The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium (CID 135808553) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium.

What is the SMILES notation for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium?

The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium is CC[NH+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1cc(C(=O)OC)c(C)o1.

What is the InChIKey of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium?

The InChIKey is FIYVDJDRICSJGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O6/c1-6-24(10-13-7-14(12(2)30-13)21(26)29-5)11-19-22-16-9-18(28-4)17(27-3)8-15(16)20(25)23-19/h7-9H,6,10-11H2,1-5H3,(H,22,23,25)/p+1.

What are the key properties of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium?

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium has a molecular weight of 416.45 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 135808553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).