ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C21H25N4O3+ — CID 135808327

About ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135808327) has the molecular formula C21H25N4O3+ and a molecular weight of 381.46 g/mol. Its IUPAC name is ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135808327
• Molecular Formula: C21H25N4O3+
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.19
• IUPAC Name: ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: CC[NH+](CC(=O)Nc1cc(C)ccc1OC)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C21H24N4O3/c1-4-25(12-19-22-16-8-6-5-7-15(16)21(27)24-19)13-20(26)23-17-11-14(2)9-10-18(17)28-3/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,22,24,27)/p+1
• InChIKey: GOJDUESTCLASRX-UHFFFAOYSA-O
• XLogP: 1.28
• TPSA: 88.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135808327) is ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

What is the SMILES notation for ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The canonical SMILES for ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](CC(=O)Nc1cc(C)ccc1OC)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is GOJDUESTCLASRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O3/c1-4-25(12-19-22-16-8-6-5-7-15(16)21(27)24-19)13-20(26)23-17-11-14(2)9-10-18(17)28-3/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,22,24,27)/p+1.

What are the key properties of ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 381.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135808327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).