5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde

C19H14FNO3 — CID 89187490

IUPAC5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
SMILESCC(=O)c1cc(C=O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C19H14FNO3/c1-11(23)16-8-14(10-22)19(24)18-17(16)7-13(9-21-18)6-12-2-4-15(20)5-3-12/h2-5,7-10,24H,6H2,1H3
InChIKeyPRXCJQXAMCMTBY-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.69
Rot. Bonds4

About 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde

5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde (PubChem CID 89187490) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde.

Molecular Properties

Compound Name5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
PubChem CID89187490
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
SMILESCC(=O)c1cc(C=O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C19H14FNO3/c1-11(23)16-8-14(10-22)19(24)18-17(16)7-13(9-21-18)6-12-2-4-15(20)5-3-12/h2-5,7-10,24H,6H2,1H3
InChIKeyPRXCJQXAMCMTBY-UHFFFAOYSA-N
XLogP3.69
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde?
The IUPAC name of 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde (CID 89187490) is 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde.
What is the SMILES notation for 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde?
The canonical SMILES for 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde is CC(=O)c1cc(C=O)c(O)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde?
The InChIKey is PRXCJQXAMCMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-11(23)16-8-14(10-22)19(24)18-17(16)7-13(9-21-18)6-12-2-4-15(20)5-3-12/h2-5,7-10,24H,6H2,1H3.
What are the key properties of 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde?
5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde has a molecular weight of 323.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde is sourced from PubChem (CID 89187490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).