1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine

C11H10N6O2 — CID 14001038

IUPAC1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc2ccccc2n1)N[N+](=O)[O-]
InChIInChI=1S/C11H10N6O2/c12-11(16-17(18)19)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)/b13-7+
InChIKeyBDAUBBGKMJBSKS-NTUHNPAUSA-N
MW258.24 g/mol
LogP0.66
Rot. Bonds3

About 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine

1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine (PubChem CID 14001038) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
PubChem CID14001038
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc2ccccc2n1)N[N+](=O)[O-]
InChIInChI=1S/C11H10N6O2/c12-11(16-17(18)19)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)/b13-7+
InChIKeyBDAUBBGKMJBSKS-NTUHNPAUSA-N
XLogP0.66
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
ethyl N'-(quinolin-2-ylmethylideneamino)carbamimidothioate
CID 75275277
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
1-nitro-2-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]guanidine
CID 3544962
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
CID 166625050
CID 166625050
4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 139203008
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
acridine;1-nitroguanidine
CID 174339962

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine?
The IUPAC name of 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine (CID 14001038) is 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine.
What is the SMILES notation for 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine?
The canonical SMILES for 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine is N/C(=N\N=C\c1ccc2ccccc2n1)N[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine?
The InChIKey is BDAUBBGKMJBSKS-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N6O2/c12-11(16-17(18)19)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)/b13-7+.
What are the key properties of 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine?
1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine has a molecular weight of 258.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine is sourced from PubChem (CID 14001038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).