2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

C16H19Cl2N5S — CID 18317752

About 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 18317752) has the molecular formula C16H19Cl2N5S and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

• Compound Name: 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
• PubChem CID: 18317752
• Molecular Formula: C16H19Cl2N5S
• Molecular Weight: 384.34 g/mol
• Exact Mass: 383.07
• IUPAC Name: 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
• SMILES: Cc1cc(Cl)sc1C1C/C(=N/N=C(N)N)c2c(C)ccnc2C1.Cl
• InChI: InChI=1S/C16H18ClN5S.ClH/c1-8-3-4-20-11-6-10(15-9(2)5-13(17)23-15)7-12(14(8)11)21-22-16(18)19;/h3-5,10H,6-7H2,1-2H3,(H4,18,19,22);1H/b21-12-
• InChIKey: RGOIQOFRKYCODO-SDKPGJOKSA-N
• XLogP: 3.54
• TPSA: 89.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.34
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?

The IUPAC name of 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 18317752) is 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

What is the SMILES notation for 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?

The canonical SMILES for 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is Cc1cc(Cl)sc1C1C/C(=N/N=C(N)N)c2c(C)ccnc2C1.Cl.

What is the InChIKey of 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?

The InChIKey is RGOIQOFRKYCODO-SDKPGJOKSA-N. The full InChI is InChI=1S/C16H18ClN5S.ClH/c1-8-3-4-20-11-6-10(15-9(2)5-13(17)23-15)7-12(14(8)11)21-22-16(18)19;/h3-5,10H,6-7H2,1-2H3,(H4,18,19,22);1H/b21-12-;.

What are the key properties of 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?

2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 384.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 18317752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).