1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine

C11H11FN6 — CID 168603731

IUPAC1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc2cc(F)cnc2c1
InChIInChI=1S/C11H11FN6/c12-7-3-6-1-2-8(4-9(6)16-5-7)17-11(15)18-10(13)14/h1-5H,(H6,13,14,15,17,18)
InChIKeyMQUFUAYFJVOAJX-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.59
Rot. Bonds1

About 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine

1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine (PubChem CID 168603731) has the molecular formula C11H11FN6 and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine
PubChem CID168603731
Molecular FormulaC11H11FN6
Molecular Weight246.25 g/mol
Exact Mass246.10
IUPAC Name1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc2cc(F)cnc2c1
InChIInChI=1S/C11H11FN6/c12-7-3-6-1-2-8(4-9(6)16-5-7)17-11(15)18-10(13)14/h1-5H,(H6,13,14,15,17,18)
InChIKeyMQUFUAYFJVOAJX-UHFFFAOYSA-N
XLogP0.59
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine (CID 168603731) is 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine is NC(N)=N/C(N)=N/c1ccc2cc(F)cnc2c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine?
The InChIKey is MQUFUAYFJVOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6/c12-7-3-6-1-2-8(4-9(6)16-5-7)17-11(15)18-10(13)14/h1-5H,(H6,13,14,15,17,18).
What are the key properties of 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine?
1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine has a molecular weight of 246.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine is sourced from PubChem (CID 168603731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).