1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine

C11H12N6O — CID 23422118

IUPAC1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(O)c2ncccc12
InChIInChI=1S/C11H12N6O/c12-10(13)17-11(14)16-7-3-4-8(18)9-6(7)2-1-5-15-9/h1-5,18H,(H6,12,13,14,16,17)
InChIKeyLPVZJTXVHFBFRI-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.16
Rot. Bonds1

About 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine

1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine (PubChem CID 23422118) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine
PubChem CID23422118
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(O)c2ncccc12
InChIInChI=1S/C11H12N6O/c12-10(13)17-11(14)16-7-3-4-8(18)9-6(7)2-1-5-15-9/h1-5,18H,(H6,12,13,14,16,17)
InChIKeyLPVZJTXVHFBFRI-UHFFFAOYSA-N
XLogP0.16
TPSA135.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
CID 136791378
8-hydroxyquinoline-5-sulfonate
CID 5260546
2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
CID 11254455
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc
CID 174743616
CID 172791001
CID 172791001
5-bromoquinolin-8-ol;nickel
CID 175092761
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
8-[(2-fluorophenyl)diazenyl]quinolin-5-ol
CID 135672550
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine (CID 23422118) is 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine is NC(N)=N/C(N)=N/c1ccc(O)c2ncccc12.
What is the InChIKey of 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine?
The InChIKey is LPVZJTXVHFBFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-10(13)17-11(14)16-7-3-4-8(18)9-6(7)2-1-5-15-9/h1-5,18H,(H6,12,13,14,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine?
1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine has a molecular weight of 244.26 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine is sourced from PubChem (CID 23422118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).