dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium

C19H29N4O3+ — CID 7688017

About dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium

dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium (PubChem CID 7688017) has the molecular formula C19H29N4O3+ and a molecular weight of 361.47 g/mol. Its IUPAC name is dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
• PubChem CID: 7688017
• Molecular Formula: C19H29N4O3+
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.22
• IUPAC Name: dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
• SMILES: CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc21
• InChI: InChI=1S/C19H28N4O3/c1-13(2)19(26)23-10-5-6-14-7-8-15(12-16(14)23)21-18(25)17(24)20-9-11-22(3)4/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,24)(H,21,25)/p+1
• InChIKey: OVYALCVVTYDVBD-UHFFFAOYSA-O
• XLogP: -0.18
• TPSA: 82.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium?

The IUPAC name of dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium (CID 7688017) is dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium.

What is the SMILES notation for dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium?

The canonical SMILES for dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium is CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc21.

What is the InChIKey of dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium?

The InChIKey is OVYALCVVTYDVBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)19(26)23-10-5-6-14-7-8-15(12-16(14)23)21-18(25)17(24)20-9-11-22(3)4/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,24)(H,21,25)/p+1.

What are the key properties of dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium?

dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium has a molecular weight of 361.47 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium is sourced from PubChem (CID 7688017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).