8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

C12H10FNO2 — CID 84623267

IUPAC8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2c(F)cccc12
InChIInChI=1S/C12H10FNO2/c1-7-8-4-3-5-10(13)11(8)14(2)12(16)9(7)6-15/h3-6H,1-2H3
InChIKeyGOHJJXQOCXSREU-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.80
Rot. Bonds1

About 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84623267) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84623267
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2c(F)cccc12
InChIInChI=1S/C12H10FNO2/c1-7-8-4-3-5-10(13)11(8)14(2)12(16)9(7)6-15/h3-6H,1-2H3
InChIKeyGOHJJXQOCXSREU-UHFFFAOYSA-N
XLogP1.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (CID 84623267) is 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is Cc1c(C=O)c(=O)n(C)c2c(F)cccc12.
What is the InChIKey of 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is GOHJJXQOCXSREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7-8-4-3-5-10(13)11(8)14(2)12(16)9(7)6-15/h3-6H,1-2H3.
What are the key properties of 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 219.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84623267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).