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

C14H13F2NO2 — CID 169153213

IUPAC8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde
SMILESO=CC1C(=O)c2cc(F)c(F)cc2N2CCCCC12
InChIInChI=1S/C14H13F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7,9,12H,1-4H2
InChIKeySFVARBNKSYFRDQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.34
Rot. Bonds1

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

8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde (PubChem CID 169153213) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde.

Molecular Properties

Compound Name8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde
PubChem CID169153213
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde
SMILESO=CC1C(=O)c2cc(F)c(F)cc2N2CCCCC12
InChIInChI=1S/C14H13F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7,9,12H,1-4H2
InChIKeySFVARBNKSYFRDQ-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde with MolForge

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Related Compounds

4-Quinolinone, 1,2,3,4-tetrahydro-1,3-dimethyl-
CID 103759
3-Ethyl-1-methylquinoline-2,4-dione
CID 3420663
1,3-diethyl-3-fluoro-2,4(1H,3H)-quinolinedione
CID 4382320
3-Fluoro-10-methyl-9-acridinone
CID 24761354
10-methyl-3-propan-2-yl-3,4-dihydro-2H-acridine-1,9-dione
CID 10265085
2-(4-Phenylpiperidin-1-yl)-4-fluorobenzaldehyde
CID 129753326
1-(Trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 154458807
10-Methyl-4a,9a-dihydroacridin-9-one
CID 4126243
1-Methyl-4-oxo-1,4-dihydroquinoline-3-carbaldehyde
CID 12854441
2-Fluoro-10-methylacridin-9-one
CID 16007028
10-Allyl-2-fluoroacridine-9(10h)-one
CID 146015046
3-Ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione
CID 155929726

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde?
The IUPAC name of 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde (CID 169153213) is 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde.
What is the SMILES notation for 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde?
The canonical SMILES for 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde is O=CC1C(=O)c2cc(F)c(F)cc2N2CCCCC12.
What is the InChIKey of 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde?
The InChIKey is SFVARBNKSYFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-10-5-8-13(6-11(10)16)17-4-2-1-3-12(17)9(7-18)14(8)19/h5-7,9,12H,1-4H2.
What are the key properties of 8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde?
8,9-difluoro-6-oxo-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde has a molecular weight of 265.26 g/mol, XLogP of 2.34, 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-1,2,3,4,4a,5-hexahydrobenzo[c]quinolizine-5-carbaldehyde is sourced from PubChem (CID 169153213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).