[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C19H28N5O4+ — CID 135809325

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809325) has the molecular formula C19H28N5O4+ and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135809325
• Molecular Formula: C19H28N5O4+
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.21
• IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: CC[C@@H](C)NC(=O)NC(=O)C[NH+](CCOC)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C19H27N5O4/c1-4-13(2)20-19(27)23-17(25)12-24(9-10-28-3)11-16-21-15-8-6-5-7-14(15)18(26)22-16/h5-8,13H,4,9-12H2,1-3H3,(H,21,22,26)(H2,20,23,25,27)/p+1/t13-/m1/s1
• InChIKey: CRKPFJKYSSDBAD-CYBMUJFWSA-O
• XLogP: -0.42
• TPSA: 117.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	-0.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809325) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[C@@H](C)NC(=O)NC(=O)C[NH+](CCOC)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is CRKPFJKYSSDBAD-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H27N5O4/c1-4-13(2)20-19(27)23-17(25)12-24(9-10-28-3)11-16-21-15-8-6-5-7-14(15)18(26)22-16/h5-8,13H,4,9-12H2,1-3H3,(H,21,22,26)(H2,20,23,25,27)/p+1/t13-/m1/s1.

What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 390.46 g/mol, XLogP of -0.42, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).