8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde

C14H11F2NO2 — CID 169153362

IUPAC8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde
SMILESO=Cc1c2n(c3cc(F)c(F)cc3c1=O)CCCC2
InChIInChI=1S/C14H11F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7H,1-4H2
InChIKeyUJRXIKCOTUREGB-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.43
Rot. Bonds1

About 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde

8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde (PubChem CID 169153362) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde.

Molecular Properties

Compound Name8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde
PubChem CID169153362
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde
SMILESO=Cc1c2n(c3cc(F)c(F)cc3c1=O)CCCC2
InChIInChI=1S/C14H11F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7H,1-4H2
InChIKeyUJRXIKCOTUREGB-UHFFFAOYSA-N
XLogP2.43
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.43
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

3-Benzoyl-1-pentyl-1,4-dihydroquinolin-4-one
CID 44436068
1-Methyl-1,2,3,4-tetrahydroquinoline-2,4-dione
CID 4102778
1-methyl-2,3-dihydro-4(1H)-quinolinone
CID 420419
2-Morpholinobenzaldehyde
CID 2737010
2-(Piperidin-1-yl)benzaldehyde
CID 2062157
1-Benzyl-1,2,3,4-tetrahydroquinolin-4-one
CID 20142718
3-Benzoyl-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one
CID 16008515
1,3-diethyl-3-fluoro-2,4(1H,3H)-quinolinedione
CID 4382320
3-Fluoro-10-methyl-9-acridinone
CID 24761354
1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline
CID 194872
4-Hydroxyquinoline-3-carbaldehyde
CID 348137
1-Ethyl-7-fluoro-4-oxo-quinoline-3-carboxamide
CID 478765

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde?
The IUPAC name of 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde (CID 169153362) is 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde.
What is the SMILES notation for 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde?
The canonical SMILES for 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde is O=Cc1c2n(c3cc(F)c(F)cc3c1=O)CCCC2.
What is the InChIKey of 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde?
The InChIKey is UJRXIKCOTUREGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7H,1-4H2.
What are the key properties of 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde?
8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde has a molecular weight of 263.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carbaldehyde is sourced from PubChem (CID 169153362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).