9H-benzo[g]quinolin-9-ide

C13H8N- — CID 102325536

IUPAC9H-benzo[g]quinolin-9-ide
SMILES[c-]1cccc2cc3cccnc3cc12
InChIInChI=1S/C13H8N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-4,6-9H/q-1
InChIKeyKPFRGKGWFUHZSM-UHFFFAOYSA-N
MW178.21 g/mol
LogP3.19
Rot. Bonds

About 9H-benzo[g]quinolin-9-ide

9H-benzo[g]quinolin-9-ide (PubChem CID 102325536) has the molecular formula C13H8N- and a molecular weight of 178.21 g/mol. Its IUPAC name is 9H-benzo[g]quinolin-9-ide.

Molecular Properties

Compound Name9H-benzo[g]quinolin-9-ide
PubChem CID102325536
Molecular FormulaC13H8N-
Molecular Weight178.21 g/mol
Exact Mass178.07
IUPAC Name9H-benzo[g]quinolin-9-ide
SMILES[c-]1cccc2cc3cccnc3cc12
InChIInChI=1S/C13H8N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-4,6-9H/q-1
InChIKeyKPFRGKGWFUHZSM-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-7-chloroquinoline
CID 14548344
trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
CID 19737531
1H-pyrrolo[3,2-g]quinoline;dihydrobromide
CID 67935451
cyclododeca[g]quinoline
CID 173006173
7,9-dimethylpyrido[4,3-g]quinoline
CID 118895211
quinoline
CID 76974643
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
CID 87967042
CID 87967042
6-methylquinoline
CID 7059
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
2,6,13,15,19,26,28,32,39-nonazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,6,8,10,13,16(25),17,19,21,23,26,29(38),30,32,34,36-octadecaene
CID 129087589

Frequently Asked Questions

What is the IUPAC name of 9H-benzo[g]quinolin-9-ide?
The IUPAC name of 9H-benzo[g]quinolin-9-ide (CID 102325536) is 9H-benzo[g]quinolin-9-ide.
What is the SMILES notation for 9H-benzo[g]quinolin-9-ide?
The canonical SMILES for 9H-benzo[g]quinolin-9-ide is [c-]1cccc2cc3cccnc3cc12.
What is the InChIKey of 9H-benzo[g]quinolin-9-ide?
The InChIKey is KPFRGKGWFUHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-4,6-9H/q-1.
What are the key properties of 9H-benzo[g]quinolin-9-ide?
9H-benzo[g]quinolin-9-ide has a molecular weight of 178.21 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-benzo[g]quinolin-9-ide is sourced from PubChem (CID 102325536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).