1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine

C21H17N7 — CID 127033481

IUPAC1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1cnc2ccccc2c1)N/N=C/c1cnc2ccccc2c1
InChIInChI=1S/C21H17N7/c22-21(27-25-13-15-9-17-5-1-3-7-19(17)23-11-15)28-26-14-16-10-18-6-2-4-8-20(18)24-12-16/h1-14H,(H3,22,27,28)/b25-13+,26-14+
InChIKeySUKVAZKOQXSRRE-BKHCZYBLSA-N
MW367.42 g/mol
LogP3.06
Rot. Bonds4

About 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine

1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine (PubChem CID 127033481) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine
PubChem CID127033481
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1cnc2ccccc2c1)N/N=C/c1cnc2ccccc2c1
InChIInChI=1S/C21H17N7/c22-21(27-25-13-15-9-17-5-1-3-7-19(17)23-11-15)28-26-14-16-10-18-6-2-4-8-20(18)24-12-16/h1-14H,(H3,22,27,28)/b25-13+,26-14+
InChIKeySUKVAZKOQXSRRE-BKHCZYBLSA-N
XLogP3.06
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine (CID 127033481) is 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine is N/C(=N\N=C\c1cnc2ccccc2c1)N/N=C/c1cnc2ccccc2c1.
What is the InChIKey of 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine?
The InChIKey is SUKVAZKOQXSRRE-BKHCZYBLSA-N. The full InChI is InChI=1S/C21H17N7/c22-21(27-25-13-15-9-17-5-1-3-7-19(17)23-11-15)28-26-14-16-10-18-6-2-4-8-20(18)24-12-16/h1-14H,(H3,22,27,28)/b25-13+,26-14+.
What are the key properties of 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine?
1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine has a molecular weight of 367.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine is sourced from PubChem (CID 127033481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).