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

C18H21ClFN5O — CID 70162430

IUPAC2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCOc1ccc(F)cc1C1CC(=NN=C(N)N)c2c(C)ccnc2C1.Cl
InChIInChI=1S/C18H20FN5O.ClH/c1-10-5-6-22-14-7-11(8-15(17(10)14)23-24-18(20)21)13-9-12(19)3-4-16(13)25-2;/h3-6,9,11H,7-8H2,1-2H3,(H4,20,21,24);1H
InChIKeyIAYXIWYTJHAFMZ-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.67
Rot. Bonds3

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

2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 70162430) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
PubChem CID70162430
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCOc1ccc(F)cc1C1CC(=NN=C(N)N)c2c(C)ccnc2C1.Cl
InChIInChI=1S/C18H20FN5O.ClH/c1-10-5-6-22-14-7-11(8-15(17(10)14)23-24-18(20)21)13-9-12(19)3-4-16(13)25-2;/h3-6,9,11H,7-8H2,1-2H3,(H4,20,21,24);1H
InChIKeyIAYXIWYTJHAFMZ-UHFFFAOYSA-N
XLogP2.67
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[7-(5-chloro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57267895
2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317321
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163380
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
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-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]guanidine
CID 68629309
(7R)-7-(5-fluoro-2-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-one
CID 129364123
1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 173270708
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
2-[(E)-[3-methyl-6-(2-methylphenyl)-1,5,6,7-tetrahydroindol-4-ylidene]amino]guanidine;hydrochloride
CID 135581637

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 70162430) is 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is COc1ccc(F)cc1C1CC(=NN=C(N)N)c2c(C)ccnc2C1.Cl.
What is the InChIKey of 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The InChIKey is IAYXIWYTJHAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O.ClH/c1-10-5-6-22-14-7-11(8-15(17(10)14)23-24-18(20)21)13-9-12(19)3-4-16(13)25-2;/h3-6,9,11H,7-8H2,1-2H3,(H4,20,21,24);1H.
What are the key properties of 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 70162430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).