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

C17H18Cl2FN5 — CID 18317321

IUPAC2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccnc2c1/C(=N\N=C(N)N)CC(c1cc(Cl)ccc1F)C2.Cl
InChIInChI=1S/C17H17ClFN5.ClH/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);1H/b23-15-;
InChIKeyFXSXRQRWUDDCDU-HNALGXGESA-N
MW382.27 g/mol
LogP3.31
Rot. Bonds2

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

2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 18317321) has the molecular formula C17H18Cl2FN5 and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
PubChem CID18317321
Molecular FormulaC17H18Cl2FN5
Molecular Weight382.27 g/mol
Exact Mass381.09
IUPAC Name2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccnc2c1/C(=N\N=C(N)N)CC(c1cc(Cl)ccc1F)C2.Cl
InChIInChI=1S/C17H17ClFN5.ClH/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);1H/b23-15-;
InChIKeyFXSXRQRWUDDCDU-HNALGXGESA-N
XLogP3.31
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 10981304
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[[7-(5-chloro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57267895
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163380
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57149116
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317752
2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57184638
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
CID 57142491
2-[[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 10871191

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 18317321) is 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is Cc1ccnc2c1/C(=N\N=C(N)N)CC(c1cc(Cl)ccc1F)C2.Cl.
What is the InChIKey of 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The InChIKey is FXSXRQRWUDDCDU-HNALGXGESA-N. The full InChI is InChI=1S/C17H17ClFN5.ClH/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);1H/b23-15-;.
What are the key properties of 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 382.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 18317321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).