2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde

C12H10FNO2 — CID 87595873

IUPAC2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde
SMILESCc1cc(F)c(CC=O)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H10FNO2/c1-7-6-10(13)9(4-5-15)12-8(7)2-3-11(16)14-12/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyIXVOAARXFHMYNY-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.72
Rot. Bonds2

About 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde

2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde (PubChem CID 87595873) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde
PubChem CID87595873
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde
SMILESCc1cc(F)c(CC=O)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H10FNO2/c1-7-6-10(13)9(4-5-15)12-8(7)2-3-11(16)14-12/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyIXVOAARXFHMYNY-UHFFFAOYSA-N
XLogP1.72
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde?
The IUPAC name of 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde (CID 87595873) is 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde.
What is the SMILES notation for 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde?
The canonical SMILES for 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde is Cc1cc(F)c(CC=O)c2[nH]c(=O)ccc12.
What is the InChIKey of 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde?
The InChIKey is IXVOAARXFHMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7-6-10(13)9(4-5-15)12-8(7)2-3-11(16)14-12/h2-3,5-6H,4H2,1H3,(H,14,16).
What are the key properties of 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde?
2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde has a molecular weight of 219.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-5-methyl-2-oxo-1H-quinolin-8-yl)acetaldehyde is sourced from PubChem (CID 87595873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).