4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde

C18H15FN2O2 — CID 6502652

IUPAC4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCCc2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)9-10-20-17-14-3-1-2-4-16(14)21-18(23)15(17)11-22/h1-8,11H,9-10H2,(H2,20,21,23)
InChIKeyGWWYHTGAGIWWDM-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.13
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde

4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 6502652) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID6502652
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCCc2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)9-10-20-17-14-3-1-2-4-16(14)21-18(23)15(17)11-22/h1-8,11H,9-10H2,(H2,20,21,23)
InChIKeyGWWYHTGAGIWWDM-UHFFFAOYSA-N
XLogP3.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
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 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde (CID 6502652) is 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1c(NCCc2ccc(F)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is GWWYHTGAGIWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)9-10-20-17-14-3-1-2-4-16(14)21-18(23)15(17)11-22/h1-8,11H,9-10H2,(H2,20,21,23).
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 310.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 6502652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).