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

C18H21N5 — CID 11055924

IUPAC2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
SMILESCc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N
InChIInChI=1S/C18H21N5/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)/b22-16+
InChIKeyGYUHJCCFKVHIOA-CJLVFECKSA-N
MW307.40 g/mol
LogP2.41
Rot. Bonds2

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

2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine (PubChem CID 11055924) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
PubChem CID11055924
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine
SMILESCc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N
InChIInChI=1S/C18H21N5/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)/b22-16+
InChIKeyGYUHJCCFKVHIOA-CJLVFECKSA-N
XLogP2.41
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.41
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?
The IUPAC name of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine (CID 11055924) is 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine is Cc1cc(C)c2c(n1)CC(c1ccccc1)C/C2=N\N=C(N)N.
What is the InChIKey of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
The InChIKey is GYUHJCCFKVHIOA-CJLVFECKSA-N. The full InChI is InChI=1S/C18H21N5/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)/b22-16+.
What are the key properties of 2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine?
2-[(E)-(2,4-dimethyl-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene)amino]guanidine has a molecular weight of 307.40 g/mol, XLogP of 2.41, 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 is sourced from PubChem (CID 11055924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).