2-quinolin-3-ylguanidine

C10H10N4 — CID 59852075

IUPAC2-quinolin-3-ylguanidine
SMILESNC(N)=Nc1cnc2ccccc2c1
InChIInChI=1S/C10H10N4/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8/h1-6H,(H4,11,12,14)
InChIKeyLHKXHMYXVQVCMI-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.14
Rot. Bonds1

About 2-quinolin-3-ylguanidine

2-quinolin-3-ylguanidine (PubChem CID 59852075) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-quinolin-3-ylguanidine.

Molecular Properties

Compound Name2-quinolin-3-ylguanidine
PubChem CID59852075
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name2-quinolin-3-ylguanidine
SMILESNC(N)=Nc1cnc2ccccc2c1
InChIInChI=1S/C10H10N4/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8/h1-6H,(H4,11,12,14)
InChIKeyLHKXHMYXVQVCMI-UHFFFAOYSA-N
XLogP1.14
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
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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Related Compounds

5-quinolin-3-yliminoheptan-3-one
CID 139343061
N-(quinolin-3-yldiazenyl)quinolin-3-amine
CID 59318643
quinoline-3-carboxamide;hydrofluoride
CID 174911514
nickel;quinoline-3-thiol;sulfanide
CID 175270394
CID 174439431
CID 174439431
N-quinolin-3-ylhydroxylamine
CID 54286324
2-(6-chloro-3-pyridinyl)guanidine;hydroiodide
CID 130650578
3-bromoquinoline;hydrobromide
CID 70190019
ethane;molecular hydrogen;quinolin-3-amine
CID 145187853
quinolin-3-ylsulfonylurea
CID 163964326
quinolin-3-ylmethyl acetate
CID 101032812
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylguanidine?
The IUPAC name of 2-quinolin-3-ylguanidine (CID 59852075) is 2-quinolin-3-ylguanidine.
What is the SMILES notation for 2-quinolin-3-ylguanidine?
The canonical SMILES for 2-quinolin-3-ylguanidine is NC(N)=Nc1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-ylguanidine?
The InChIKey is LHKXHMYXVQVCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8/h1-6H,(H4,11,12,14).
What are the key properties of 2-quinolin-3-ylguanidine?
2-quinolin-3-ylguanidine has a molecular weight of 186.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylguanidine is sourced from PubChem (CID 59852075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).