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

C19H29N4O4+ — CID 135808677

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

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium (PubChem CID 135808677) has the molecular formula C19H29N4O4+ and a molecular weight of 377.47 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium
• PubChem CID: 135808677
• Molecular Formula: C19H29N4O4+
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.22
• IUPAC Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium
• SMILES: CC[NH+](CC(=O)NCC(C)C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
• InChI: InChI=1S/C19H28N4O4/c1-6-23(11-18(24)20-9-12(2)3)10-17-21-14-8-16(27-5)15(26-4)7-13(14)19(25)22-17/h7-8,12H,6,9-11H2,1-5H3,(H,20,24)(H,21,22,25)/p+1
• InChIKey: KRSOUHMPRLIUPR-UHFFFAOYSA-O
• XLogP: 0.12
• TPSA: 97.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	0.12
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-(2-methylpropylamino)-2-oxoethyl]azanium?

The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium (CID 135808677) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium.

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

The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium is CC[NH+](CC(=O)NCC(C)C)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-(2-methylpropylamino)-2-oxoethyl]azanium?

The InChIKey is KRSOUHMPRLIUPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O4/c1-6-23(11-18(24)20-9-12(2)3)10-17-21-14-8-16(27-5)15(26-4)7-13(14)19(25)22-17/h7-8,12H,6,9-11H2,1-5H3,(H,20,24)(H,21,22,25)/p+1.

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

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium has a molecular weight of 377.47 g/mol, XLogP of 0.12, 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-(2-methylpropylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 135808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).