dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium

C19H29N4O2S+ — CID 9374232

About dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium

dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium (PubChem CID 9374232) has the molecular formula C19H29N4O2S+ and a molecular weight of 377.53 g/mol. Its IUPAC name is dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium
• PubChem CID: 9374232
• Molecular Formula: C19H29N4O2S+
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.20
• IUPAC Name: dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium
• SMILES: CC(C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C
• InChI: InChI=1S/C19H28N4O2S/c1-13(2)20-17(24)14(3)26-19-21-16-10-7-6-9-15(16)18(25)23(19)12-8-11-22(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,20,24)/p+1/t14-/m0/s1
• InChIKey: RVSDZFLJLHAWLD-AWEZNQCLSA-O
• XLogP: 0.94
• TPSA: 68.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium?

The IUPAC name of dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium (CID 9374232) is dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium.

What is the SMILES notation for dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium?

The canonical SMILES for dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium is CC(C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C.

What is the InChIKey of dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium?

The InChIKey is RVSDZFLJLHAWLD-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H28N4O2S/c1-13(2)20-17(24)14(3)26-19-21-16-10-7-6-9-15(16)18(25)23(19)12-8-11-22(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,20,24)/p+1/t14-/m0/s1.

What are the key properties of dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium?

dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium has a molecular weight of 377.53 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium is sourced from PubChem (CID 9374232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).