2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C20H21ClN4O3 — CID 7923476

About 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide

2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7923476) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 7923476
• Molecular Formula: C20H21ClN4O3
• Molecular Weight: 400.87 g/mol
• Exact Mass: 400.13
• IUPAC Name: 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
• SMILES: O=C(CNC(=O)c1ccccc1Cl)NNC(=O)CN1CCCc2ccccc21
• InChI: InChI=1S/C20H21ClN4O3/c21-16-9-3-2-8-15(16)20(28)22-12-18(26)23-24-19(27)13-25-11-5-7-14-6-1-4-10-17(14)25/h1-4,6,8-10H,5,7,11-13H2,(H,22,28)(H,23,26)(H,24,27)
• InChIKey: ZOKNCZPVEFLQTI-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.87
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 7923476) is 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NNC(=O)CN1CCCc2ccccc21.

What is the InChIKey of 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is ZOKNCZPVEFLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-16-9-3-2-8-15(16)20(28)22-12-18(26)23-24-19(27)13-25-11-5-7-14-6-1-4-10-17(14)25/h1-4,6,8-10H,5,7,11-13H2,(H,22,28)(H,23,26)(H,24,27).

What are the key properties of 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?

2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 400.87 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7923476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).