quinolin-1-ium-3-ylideneazanide

C9H6N2 — CID 102425176

IUPACquinolin-1-ium-3-ylideneazanide
SMILES[N-]=C1C=[N+]=c2ccccc2=C1
InChIInChI=1S/C9H6N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKeyBFUDZMGYUNXBPS-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.75
Rot. Bonds

About quinolin-1-ium-3-ylideneazanide

quinolin-1-ium-3-ylideneazanide (PubChem CID 102425176) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is quinolin-1-ium-3-ylideneazanide.

Molecular Properties

Compound Namequinolin-1-ium-3-ylideneazanide
PubChem CID102425176
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Namequinolin-1-ium-3-ylideneazanide
SMILES[N-]=C1C=[N+]=c2ccccc2=C1
InChIInChI=1S/C9H6N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKeyBFUDZMGYUNXBPS-UHFFFAOYSA-N
XLogP-0.75
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Quinoline-3-thione
CID 13507522
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
2H-1,4-Benzodiazepine
CID 21162934
2,3-Dihydro-quinoxaline
CID 21885942
3h-Quinoline
CID 22027752
4-Methyl-2,3-dihydroquinoline
CID 68274032
2-fluoro-2H-1,4-benzodiazepine
CID 151308388
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
6-Fluoro-2,6-dihydroquinoline
CID 173531805
6-(Trifluoromethyl)-2,3-dihydroquinoxaline
CID 175068942
Dibenzo[b,f][1,4]diazocine
CID 11969075

Frequently Asked Questions

What is the IUPAC name of quinolin-1-ium-3-ylideneazanide?
The IUPAC name of quinolin-1-ium-3-ylideneazanide (CID 102425176) is quinolin-1-ium-3-ylideneazanide.
What is the SMILES notation for quinolin-1-ium-3-ylideneazanide?
The canonical SMILES for quinolin-1-ium-3-ylideneazanide is [N-]=C1C=[N+]=c2ccccc2=C1.
What is the InChIKey of quinolin-1-ium-3-ylideneazanide?
The InChIKey is BFUDZMGYUNXBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H.
What are the key properties of quinolin-1-ium-3-ylideneazanide?
quinolin-1-ium-3-ylideneazanide has a molecular weight of 142.16 g/mol, XLogP of -0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-1-ium-3-ylideneazanide is sourced from PubChem (CID 102425176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).