2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde

C12H10FNO2 — CID 59398124

IUPAC2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
SMILESCc1cc(=O)n(CC=O)c2cc(F)ccc12
InChIInChI=1S/C12H10FNO2/c1-8-6-12(16)14(4-5-15)11-7-9(13)2-3-10(8)11/h2-3,5-7H,4H2,1H3
InChIKeyIDFLDFGODOFFLB-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.65
Rot. Bonds2

About 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde

2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde (PubChem CID 59398124) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
PubChem CID59398124
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
SMILESCc1cc(=O)n(CC=O)c2cc(F)ccc12
InChIInChI=1S/C12H10FNO2/c1-8-6-12(16)14(4-5-15)11-7-9(13)2-3-10(8)11/h2-3,5-7H,4H2,1H3
InChIKeyIDFLDFGODOFFLB-UHFFFAOYSA-N
XLogP1.65
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.65
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 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The IUPAC name of 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde (CID 59398124) is 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The canonical SMILES for 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde is Cc1cc(=O)n(CC=O)c2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The InChIKey is IDFLDFGODOFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-8-6-12(16)14(4-5-15)11-7-9(13)2-3-10(8)11/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde has a molecular weight of 219.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde is sourced from PubChem (CID 59398124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).