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

C17H19N5 — CID 10870090

IUPAC2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
SMILESCc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N
InChIInChI=1S/C17H19N5/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)/b21-16+
InChIKeyFCEIGNRTVUUHGW-LTGZKZEYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds2

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

2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine (PubChem CID 10870090) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
PubChem CID10870090
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
SMILESCc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N
InChIInChI=1S/C17H19N5/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)/b21-16+
InChIKeyFCEIGNRTVUUHGW-LTGZKZEYSA-N
XLogP2.10
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
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?
The IUPAC name of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine (CID 10870090) is 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine is Cc1ccc2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.
What is the InChIKey of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
The InChIKey is FCEIGNRTVUUHGW-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H19N5/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)/b21-16+.
What are the key properties of 2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
2-[(E)-(2-methyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine has a molecular weight of 293.37 g/mol, XLogP of 2.10, 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 is sourced from PubChem (CID 10870090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).