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

C18H20ClN5 — CID 57149116

IUPAC2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)c1
InChIInChI=1S/C18H20ClN5/c1-10-3-4-14(19)13(7-10)12-8-15-17(11(2)5-6-22-15)16(9-12)23-24-18(20)21/h3-7,12H,8-9H2,1-2H3,(H4,20,21,24)
InChIKeyVVIVRHZRBHMPSX-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.06
Rot. Bonds2

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

2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 57149116) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
PubChem CID57149116
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)c1
InChIInChI=1S/C18H20ClN5/c1-10-3-4-14(19)13(7-10)12-8-15-17(11(2)5-6-22-15)16(9-12)23-24-18(20)21/h3-7,12H,8-9H2,1-2H3,(H4,20,21,24)
InChIKeyVVIVRHZRBHMPSX-UHFFFAOYSA-N
XLogP3.06
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.06
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-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163380
2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 10981304
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57184638
2-[[7-(5-chloro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57267895
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
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-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
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
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
CID 57142491
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride
CID 18317798

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The IUPAC name of 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 57149116) is 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.
What is the SMILES notation for 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The canonical SMILES for 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is Cc1ccc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)c1.
What is the InChIKey of 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The InChIKey is VVIVRHZRBHMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-10-3-4-14(19)13(7-10)12-8-15-17(11(2)5-6-22-15)16(9-12)23-24-18(20)21/h3-7,12H,8-9H2,1-2H3,(H4,20,21,24).
What are the key properties of 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 341.85 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is sourced from PubChem (CID 57149116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).