2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

C17H17Cl2N5 — CID 10981304

About 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 10981304) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

• Compound Name: 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
• PubChem CID: 10981304
• Molecular Formula: C17H17Cl2N5
• Molecular Weight: 362.26 g/mol
• Exact Mass: 361.09
• IUPAC Name: 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
• SMILES: Cc1ccnc2c1/C(=N/N=C(N)N)CC(c1cc(Cl)ccc1Cl)C2
• InChI: InChI=1S/C17H17Cl2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)/b23-15+
• InChIKey: KZFQEBBSZPJRLL-HZHRSRAPSA-N
• XLogP: 3.40
• TPSA: 89.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.26
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?

The IUPAC name of 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 10981304) is 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

What is the SMILES notation for 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?

The canonical SMILES for 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is Cc1ccnc2c1/C(=N/N=C(N)N)CC(c1cc(Cl)ccc1Cl)C2.

What is the InChIKey of 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?

The InChIKey is KZFQEBBSZPJRLL-HZHRSRAPSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)/b23-15+.

What are the key properties of 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?

2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 362.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is sourced from PubChem (CID 10981304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).