7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline

C16H18FNO2 — CID 25058390

IUPAC7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline
SMILESFc1ccc2cc(CCO[C@H]3CCCCO3)ncc2c1
InChIInChI=1S/C16H18FNO2/c17-14-5-4-12-10-15(18-11-13(12)9-14)6-8-20-16-3-1-2-7-19-16/h4-5,9-11,16H,1-3,6-8H2/t16-/m0/s1
InChIKeyFNWCHYFKNGNFQR-INIZCTEOSA-N
MW275.32 g/mol
LogP3.46
Rot. Bonds4

About 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline

7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline (PubChem CID 25058390) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline.

Molecular Properties

Compound Name7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline
PubChem CID25058390
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline
SMILESFc1ccc2cc(CCO[C@H]3CCCCO3)ncc2c1
InChIInChI=1S/C16H18FNO2/c17-14-5-4-12-10-15(18-11-13(12)9-14)6-8-20-16-3-1-2-7-19-16/h4-5,9-11,16H,1-3,6-8H2/t16-/m0/s1
InChIKeyFNWCHYFKNGNFQR-INIZCTEOSA-N
XLogP3.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline 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 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline?
The IUPAC name of 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline (CID 25058390) is 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline.
What is the SMILES notation for 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline?
The canonical SMILES for 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline is Fc1ccc2cc(CCO[C@H]3CCCCO3)ncc2c1.
What is the InChIKey of 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline?
The InChIKey is FNWCHYFKNGNFQR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-5-4-12-10-15(18-11-13(12)9-14)6-8-20-16-3-1-2-7-19-16/h4-5,9-11,16H,1-3,6-8H2/t16-/m0/s1.
What are the key properties of 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline?
7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline has a molecular weight of 275.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[(2S)-oxan-2-yl]oxyethyl]isoquinoline is sourced from PubChem (CID 25058390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).