2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine

C11H10ClN5 — CID 168592512

IUPAC2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C11H10ClN5/c12-10-4-2-8-5-7(1-3-9(8)16-10)6-15-17-11(13)14/h1-6H,(H4,13,14,17)
InChIKeyCYDIQJFYDZWDTO-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.50
Rot. Bonds2

About 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine

2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine (PubChem CID 168592512) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine
PubChem CID168592512
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C11H10ClN5/c12-10-4-2-8-5-7(1-3-9(8)16-10)6-15-17-11(13)14/h1-6H,(H4,13,14,17)
InChIKeyCYDIQJFYDZWDTO-UHFFFAOYSA-N
XLogP1.50
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2-chloroquinolin-6-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine (CID 168592512) is 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine?
The InChIKey is CYDIQJFYDZWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c12-10-4-2-8-5-7(1-3-9(8)16-10)6-15-17-11(13)14/h1-6H,(H4,13,14,17).
What are the key properties of 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine?
2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine has a molecular weight of 247.69 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinolin-6-yl)methylideneamino]guanidine is sourced from PubChem (CID 168592512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).