2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide

C22H25Cl2N3O2 — CID 6599426

About 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide (PubChem CID 6599426) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide.

Molecular Properties

• Compound Name: 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide
• PubChem CID: 6599426
• Molecular Formula: C22H25Cl2N3O2
• Molecular Weight: 434.37 g/mol
• Exact Mass: 433.13
• IUPAC Name: 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide
• SMILES: Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC3=C[C@H]4CC[C@@]3(C)C4(C)C)c2n1
• InChI: InChI=1S/C22H25Cl2N3O2/c1-12-5-6-14-15(23)10-16(24)20(19(14)25-12)29-11-18(28)27-26-17-9-13-7-8-22(17,4)21(13,2)3/h5-6,9-10,13,26H,7-8,11H2,1-4H3,(H,27,28)/t13-,22-/m1/s1
• InChIKey: UKTDDPCGKPMUTB-MCMMXHMISA-N
• XLogP: 5.19
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
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-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide?

The IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide (CID 6599426) is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide.

What is the SMILES notation for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide?

The canonical SMILES for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC3=C[C@H]4CC[C@@]3(C)C4(C)C)c2n1.

What is the InChIKey of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide?

The InChIKey is UKTDDPCGKPMUTB-MCMMXHMISA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-12-5-6-14-15(23)10-16(24)20(19(14)25-12)29-11-18(28)27-26-17-9-13-7-8-22(17,4)21(13,2)3/h5-6,9-10,13,26H,7-8,11H2,1-4H3,(H,27,28)/t13-,22-/m1/s1.

What are the key properties of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide?

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide has a molecular weight of 434.37 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N'-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]acetohydrazide is sourced from PubChem (CID 6599426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).