2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine

C19H17N5 — CID 154809559

IUPAC2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine
SMILESCC(c1ccccc1)N(/C(N)=N/C#N)c1cccc2ncccc12
InChIInChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)24(19(21)23-13-20)18-11-5-10-17-16(18)9-6-12-22-17/h2-12,14H,1H3,(H2,21,23)
InChIKeyAUZZLTMUJVFEQW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.60
Rot. Bonds3

About 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine

2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine (PubChem CID 154809559) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine.

Molecular Properties

Compound Name2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine
PubChem CID154809559
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine
SMILESCC(c1ccccc1)N(/C(N)=N/C#N)c1cccc2ncccc12
InChIInChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)24(19(21)23-13-20)18-11-5-10-17-16(18)9-6-12-22-17/h2-12,14H,1H3,(H2,21,23)
InChIKeyAUZZLTMUJVFEQW-UHFFFAOYSA-N
XLogP3.60
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine?
The IUPAC name of 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine (CID 154809559) is 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine.
What is the SMILES notation for 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine?
The canonical SMILES for 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine is CC(c1ccccc1)N(/C(N)=N/C#N)c1cccc2ncccc12.
What is the InChIKey of 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine?
The InChIKey is AUZZLTMUJVFEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)24(19(21)23-13-20)18-11-5-10-17-16(18)9-6-12-22-17/h2-12,14H,1H3,(H2,21,23).
What are the key properties of 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine?
2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine has a molecular weight of 315.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(1-phenylethyl)-1-quinolin-5-ylguanidine is sourced from PubChem (CID 154809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).