sodium N-quinolin-2-ylnitrous amide

C9H7N3NaO+ — CID 54608705

IUPACsodium N-quinolin-2-ylnitrous amide
SMILESO=NNc1ccc2ccccc2n1.[Na+]
InChIInChI=1S/C9H7N3O.Na/c13-12-11-9-6-5-7-3-1-2-4-8(7)10-9;/h1-6H,(H,10,11,13);/q;+1
InChIKeyBVPCZIJEHXHTPT-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.67
Rot. Bonds2

About sodium N-quinolin-2-ylnitrous amide

sodium N-quinolin-2-ylnitrous amide (PubChem CID 54608705) has the molecular formula C9H7N3NaO+ and a molecular weight of 196.17 g/mol. Its IUPAC name is sodium N-quinolin-2-ylnitrous amide.

Molecular Properties

Compound Namesodium N-quinolin-2-ylnitrous amide
PubChem CID54608705
Molecular FormulaC9H7N3NaO+
Molecular Weight196.17 g/mol
Exact Mass196.05
IUPAC Namesodium N-quinolin-2-ylnitrous amide
SMILESO=NNc1ccc2ccccc2n1.[Na+]
InChIInChI=1S/C9H7N3O.Na/c13-12-11-9-6-5-7-3-1-2-4-8(7)10-9;/h1-6H,(H,10,11,13);/q;+1
InChIKeyBVPCZIJEHXHTPT-UHFFFAOYSA-N
XLogP-0.67
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium N-(1,8-naphthyridin-2-yl)nitrous amide
CID 54607944
(2E)-2-(quinolin-2-ylhydrazinylidene)propanoic acid
CID 10059695
N-(1-phenylethylideneamino)quinolin-2-amine
CID 618819
quinolin-2-ylsulfamic acid
CID 141346931
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
2-amino-N-quinolin-2-ylacetamide
CID 54505370
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen
CID 167483138
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260

Frequently Asked Questions

What is the IUPAC name of sodium N-quinolin-2-ylnitrous amide?
The IUPAC name of sodium N-quinolin-2-ylnitrous amide (CID 54608705) is sodium N-quinolin-2-ylnitrous amide.
What is the SMILES notation for sodium N-quinolin-2-ylnitrous amide?
The canonical SMILES for sodium N-quinolin-2-ylnitrous amide is O=NNc1ccc2ccccc2n1.[Na+].
What is the InChIKey of sodium N-quinolin-2-ylnitrous amide?
The InChIKey is BVPCZIJEHXHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O.Na/c13-12-11-9-6-5-7-3-1-2-4-8(7)10-9;/h1-6H,(H,10,11,13);/q;+1.
What are the key properties of sodium N-quinolin-2-ylnitrous amide?
sodium N-quinolin-2-ylnitrous amide has a molecular weight of 196.17 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-quinolin-2-ylnitrous amide is sourced from PubChem (CID 54608705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).