quinoline-6,8-dicarbaldehyde

C11H7NO2 — CID 119087265

IUPACquinoline-6,8-dicarbaldehyde
SMILESO=Cc1cc(C=O)c2ncccc2c1
InChIInChI=1S/C11H7NO2/c13-6-8-4-9-2-1-3-12-11(9)10(5-8)7-14/h1-7H
InChIKeyCTTNNTOLRHRQTA-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.86
Rot. Bonds2

About quinoline-6,8-dicarbaldehyde

quinoline-6,8-dicarbaldehyde (PubChem CID 119087265) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is quinoline-6,8-dicarbaldehyde.

Molecular Properties

Compound Namequinoline-6,8-dicarbaldehyde
PubChem CID119087265
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Namequinoline-6,8-dicarbaldehyde
SMILESO=Cc1cc(C=O)c2ncccc2c1
InChIInChI=1S/C11H7NO2/c13-6-8-4-9-2-1-3-12-11(9)10(5-8)7-14/h1-7H
InChIKeyCTTNNTOLRHRQTA-UHFFFAOYSA-N
XLogP1.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(trifluoromethyl)quinoline-6-carbaldehyde
CID 87213949
1,6-naphthyridine-8-carbaldehyde
CID 53421929
8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde
CID 170328398
N-[2-(6-hydroxyquinolin-8-yl)ethenyl]formamide
CID 57170885
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
6-nitrosoquinoline-7-carbaldehyde
CID 142887262
3-quinolin-8-ylprop-2-enal
CID 73158990
5-quinolin-8-ylpyridine-3-carbaldehyde
CID 112694199
8-(3,5-difluorophenyl)quinoline-7-carbaldehyde
CID 86709597
3-ethenyl-1,10-phenanthroline
CID 58813469
3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931

Frequently Asked Questions

What is the IUPAC name of quinoline-6,8-dicarbaldehyde?
The IUPAC name of quinoline-6,8-dicarbaldehyde (CID 119087265) is quinoline-6,8-dicarbaldehyde.
What is the SMILES notation for quinoline-6,8-dicarbaldehyde?
The canonical SMILES for quinoline-6,8-dicarbaldehyde is O=Cc1cc(C=O)c2ncccc2c1.
What is the InChIKey of quinoline-6,8-dicarbaldehyde?
The InChIKey is CTTNNTOLRHRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-6-8-4-9-2-1-3-12-11(9)10(5-8)7-14/h1-7H.
What are the key properties of quinoline-6,8-dicarbaldehyde?
quinoline-6,8-dicarbaldehyde has a molecular weight of 185.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-6,8-dicarbaldehyde is sourced from PubChem (CID 119087265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).