2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride

C18H23Cl2N5 — CID 45261436

IUPAC2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
SMILESCc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl
InChIInChI=1S/C18H21N5.2ClH/c1-11-8-12(2)21-15-9-14(13-6-4-3-5-7-13)10-16(17(11)15)22-23-18(19)20;;/h3-8,14H,9-10H2,1-2H3,(H4,19,20,23);2*1H/b22-16+;;
InChIKeyHFJSELCQZNUEBA-LLDDCTHSSA-N
MW380.32 g/mol
LogP3.25
Rot. Bonds2

About 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride

2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride (PubChem CID 45261436) has the molecular formula C18H23Cl2N5 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
PubChem CID45261436
Molecular FormulaC18H23Cl2N5
Molecular Weight380.32 g/mol
Exact Mass379.13
IUPAC Name2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
SMILESCc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl
InChIInChI=1S/C18H21N5.2ClH/c1-11-8-12(2)21-15-9-14(13-6-4-3-5-7-13)10-16(17(11)15)22-23-18(19)20;;/h3-8,14H,9-10H2,1-2H3,(H4,19,20,23);2*1H/b22-16+;;
InChIKeyHFJSELCQZNUEBA-LLDDCTHSSA-N
XLogP3.25
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride (CID 45261436) is 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride is Cc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl.
What is the InChIKey of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The InChIKey is HFJSELCQZNUEBA-LLDDCTHSSA-N. The full InChI is InChI=1S/C18H21N5.2ClH/c1-11-8-12(2)21-15-9-14(13-6-4-3-5-7-13)10-16(17(11)15)22-23-18(19)20;;/h3-8,14H,9-10H2,1-2H3,(H4,19,20,23);2*1H/b22-16+;;.
What are the key properties of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride is sourced from PubChem (CID 45261436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).