2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal

C18H19FN2O2 — CID 166682872

IUPAC2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
SMILESCC(C=O)N1CC2C(COc3ccnc4ccc(F)cc34)C2C1
InChIInChI=1S/C18H19FN2O2/c1-11(9-22)21-7-14-15(8-21)16(14)10-23-18-4-5-20-17-3-2-12(19)6-13(17)18/h2-6,9,11,14-16H,7-8,10H2,1H3
InChIKeyFXUAUCGEZCLKPU-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.52
Rot. Bonds5

About 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal

2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal (PubChem CID 166682872) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal.

Molecular Properties

Compound Name2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
PubChem CID166682872
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
SMILESCC(C=O)N1CC2C(COc3ccnc4ccc(F)cc34)C2C1
InChIInChI=1S/C18H19FN2O2/c1-11(9-22)21-7-14-15(8-21)16(14)10-23-18-4-5-20-17-3-2-12(19)6-13(17)18/h2-6,9,11,14-16H,7-8,10H2,1H3
InChIKeyFXUAUCGEZCLKPU-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal with MolForge

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Related Compounds

6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
CID 166682866
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline
CID 153395551
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
6-fluoro-4-propan-2-ylquinoline
CID 83527062
1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane
CID 166682867
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
3-[6-[(6-fluoroquinolin-4-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(3-methoxyphenyl)butan-2-one
CID 163601800
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 118414683
6-fluoro-4-[[(1R,5S)-6-[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318473

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal?
The IUPAC name of 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal (CID 166682872) is 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal.
What is the SMILES notation for 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal?
The canonical SMILES for 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal is CC(C=O)N1CC2C(COc3ccnc4ccc(F)cc34)C2C1.
What is the InChIKey of 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal?
The InChIKey is FXUAUCGEZCLKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11(9-22)21-7-14-15(8-21)16(14)10-23-18-4-5-20-17-3-2-12(19)6-13(17)18/h2-6,9,11,14-16H,7-8,10H2,1H3.
What are the key properties of 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal?
2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal has a molecular weight of 314.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal is sourced from PubChem (CID 166682872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).