dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine

C13H19N6O4+ — CID 6332174

IUPACdihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
SMILESCOc1cc(NCCN=C(N)N)c2ncccc2c1.O=[N+](O)O
InChIInChI=1S/C13H17N5O.H2NO3/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15;2-1(3)4/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18);(H2,2,3,4)/q;+1
InChIKeyJUVNUVOKFXUCBD-UHFFFAOYSA-N
MW323.33 g/mol
LogP0.47
Rot. Bonds5

About dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine

dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine (PubChem CID 6332174) has the molecular formula C13H19N6O4+ and a molecular weight of 323.33 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
PubChem CID6332174
Molecular FormulaC13H19N6O4+
Molecular Weight323.33 g/mol
Exact Mass323.15
IUPAC Namedihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
SMILESCOc1cc(NCCN=C(N)N)c2ncccc2c1.O=[N+](O)O
InChIInChI=1S/C13H17N5O.H2NO3/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15;2-1(3)4/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18);(H2,2,3,4)/q;+1
InChIKeyJUVNUVOKFXUCBD-UHFFFAOYSA-N
XLogP0.47
TPSA159.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
dihydroxy(oxo)azanium;2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]guanidine
CID 6331885
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911
1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride
CID 54611977
1-(diaminomethylidene)-2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]-3-propan-2-ylguanidine
CID 76852179
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
CID 54603031
N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
CID 131882377
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
CID 54605470
(2S)-2,6-diamino-N-[(2S)-5-(diaminomethylideneamino)-1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-1-oxopentan-2-yl]hexanamide
CID 10650183
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine (CID 6332174) is dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine is COc1cc(NCCN=C(N)N)c2ncccc2c1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The InChIKey is JUVNUVOKFXUCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.H2NO3/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15;2-1(3)4/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18);(H2,2,3,4)/q;+1.
What are the key properties of dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine has a molecular weight of 323.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine is sourced from PubChem (CID 6332174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).