3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal

C19H21FN2O — CID 89062922

IUPAC3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal
SMILESO=CCCc1ccc(NCc2ccc3c(c2)NCCC3)cc1F
InChIInChI=1S/C19H21FN2O/c20-18-12-17(8-7-15(18)4-2-10-23)22-13-14-5-6-16-3-1-9-21-19(16)11-14/h5-8,10-12,21-22H,1-4,9,13H2
InChIKeyFETQOZRNKRFYAW-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.93
Rot. Bonds6

About 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal

3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal (PubChem CID 89062922) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal.

Molecular Properties

Compound Name3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal
PubChem CID89062922
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal
SMILESO=CCCc1ccc(NCc2ccc3c(c2)NCCC3)cc1F
InChIInChI=1S/C19H21FN2O/c20-18-12-17(8-7-15(18)4-2-10-23)22-13-14-5-6-16-3-1-9-21-19(16)11-14/h5-8,10-12,21-22H,1-4,9,13H2
InChIKeyFETQOZRNKRFYAW-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal?
The IUPAC name of 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal (CID 89062922) is 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal.
What is the SMILES notation for 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal?
The canonical SMILES for 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal is O=CCCc1ccc(NCc2ccc3c(c2)NCCC3)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal?
The InChIKey is FETQOZRNKRFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-18-12-17(8-7-15(18)4-2-10-23)22-13-14-5-6-16-3-1-9-21-19(16)11-14/h5-8,10-12,21-22H,1-4,9,13H2.
What are the key properties of 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal?
3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal has a molecular weight of 312.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-7-ylmethylamino)phenyl]propanal is sourced from PubChem (CID 89062922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).