2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine

C30H43N7O3 — CID 143988178

About 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine

2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine (PubChem CID 143988178) has the molecular formula C30H43N7O3 and a molecular weight of 549.72 g/mol. Its IUPAC name is 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
• PubChem CID: 143988178
• Molecular Formula: C30H43N7O3
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.34
• IUPAC Name: 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
• SMILES: CN(CCCN)CCCN.NC(CC=O)C(=O)NC(CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1
• InChI: InChI=1S/C23H24N4O3.C7H19N3/c24-19(12-13-28)22(29)27-21(11-10-16-6-2-1-3-7-16)23(30)26-18-14-17-8-4-5-9-20(17)25-15-18;1-10(6-2-4-8)7-3-5-9/h1-9,13-15,19,21H,10-12,24H2,(H,26,30)(H,27,29);2-9H2,1H3
• InChIKey: YZBKIOAOZOJLGL-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 169.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?

The IUPAC name of 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine (CID 143988178) is 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine.

What is the SMILES notation for 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?

The canonical SMILES for 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine is CN(CCCN)CCCN.NC(CC=O)C(=O)NC(CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1.

What is the InChIKey of 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?

The InChIKey is YZBKIOAOZOJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C7H19N3/c24-19(12-13-28)22(29)27-21(11-10-16-6-2-1-3-7-16)23(30)26-18-14-17-8-4-5-9-20(17)25-15-18;1-10(6-2-4-8)7-3-5-9/h1-9,13-15,19,21H,10-12,24H2,(H,26,30)(H,27,29);2-9H2,1H3.

What are the key properties of 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?

2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine has a molecular weight of 549.72 g/mol, XLogP of 1.82, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-amino-4-oxobutanoyl)amino]-4-phenyl-N-quinolin-3-ylbutanamide;N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 143988178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).