methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C16H23N4O2+ — CID 135680104

About methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135680104) has the molecular formula C16H23N4O2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135680104
• Molecular Formula: C16H23N4O2+
• Molecular Weight: 303.39 g/mol
• Exact Mass: 303.18
• IUPAC Name: methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: CC(C)NC(=O)[C@@H](C)[NH+](C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C16H22N4O2/c1-10(2)17-15(21)11(3)20(4)9-14-18-13-8-6-5-7-12(13)16(22)19-14/h5-8,10-11H,9H2,1-4H3,(H,17,21)(H,18,19,22)/p+1/t11-/m1/s1
• InChIKey: YGDYLUCPRHACKN-LLVKDONJSA-O
• XLogP: -0.15
• TPSA: 79.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.39
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135680104) is methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

What is the SMILES notation for methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

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

What is the InChIKey of methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is YGDYLUCPRHACKN-LLVKDONJSA-O. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)17-15(21)11(3)20(4)9-14-18-13-8-6-5-7-12(13)16(22)19-14/h5-8,10-11H,9H2,1-4H3,(H,17,21)(H,18,19,22)/p+1/t11-/m1/s1.

What are the key properties of methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 303.39 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135680104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).