6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde

C14H14FNO3 — CID 86707557

IUPAC6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde
SMILESCO[C@@H](C)COc1cc2nc(C=O)ccc2cc1F
InChIInChI=1S/C14H14FNO3/c1-9(18-2)8-19-14-6-13-10(5-12(14)15)3-4-11(7-17)16-13/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyWZPLPLOTWALWTK-VIFPVBQESA-N
MW263.27 g/mol
LogP2.60
Rot. Bonds5

About 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde

6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde (PubChem CID 86707557) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde
PubChem CID86707557
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde
SMILESCO[C@@H](C)COc1cc2nc(C=O)ccc2cc1F
InChIInChI=1S/C14H14FNO3/c1-9(18-2)8-19-14-6-13-10(5-12(14)15)3-4-11(7-17)16-13/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyWZPLPLOTWALWTK-VIFPVBQESA-N
XLogP2.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
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 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde?
The IUPAC name of 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde (CID 86707557) is 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde?
The canonical SMILES for 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde is CO[C@@H](C)COc1cc2nc(C=O)ccc2cc1F.
What is the InChIKey of 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde?
The InChIKey is WZPLPLOTWALWTK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9(18-2)8-19-14-6-13-10(5-12(14)15)3-4-11(7-17)16-13/h3-7,9H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde?
6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde has a molecular weight of 263.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(2S)-2-methoxypropoxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 86707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).