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

C17H21Cl2N5 — CID 45261377

IUPAC2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
SMILESCc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl
InChIInChI=1S/C17H19N5.2ClH/c1-11-7-8-14-15(20-11)9-13(12-5-3-2-4-6-12)10-16(14)21-22-17(18)19;;/h2-8,13H,9-10H2,1H3,(H4,18,19,22);2*1H/b21-16+;;
InChIKeyQBNWHVINGMNRMI-UZYBFUPOSA-N
MW366.30 g/mol
LogP2.94
Rot. Bonds2

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

2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride (PubChem CID 45261377) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
PubChem CID45261377
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride
SMILESCc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl
InChIInChI=1S/C17H19N5.2ClH/c1-11-7-8-14-15(20-11)9-13(12-5-3-2-4-6-12)10-16(14)21-22-17(18)19;;/h2-8,13H,9-10H2,1H3,(H4,18,19,22);2*1H/b21-16+;;
InChIKeyQBNWHVINGMNRMI-UZYBFUPOSA-N
XLogP2.94
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.94
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-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride (CID 45261377) is 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride is Cc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.Cl.Cl.
What is the InChIKey of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
The InChIKey is QBNWHVINGMNRMI-UZYBFUPOSA-N. The full InChI is InChI=1S/C17H19N5.2ClH/c1-11-7-8-14-15(20-11)9-13(12-5-3-2-4-6-12)10-16(14)21-22-17(18)19;;/h2-8,13H,9-10H2,1H3,(H4,18,19,22);2*1H/b21-16+;;.
What are the key properties of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride?
2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride has a molecular weight of 366.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine;dihydrochloride is sourced from PubChem (CID 45261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).