7-fluoro-4-methoxy-1,4-dihydroisoquinoline

C10H10FNO — CID 123395742

IUPAC7-fluoro-4-methoxy-1,4-dihydroisoquinoline
SMILESCOC1C=NCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO/c1-13-10-6-12-5-7-4-8(11)2-3-9(7)10/h2-4,6,10H,5H2,1H3
InChIKeySCSLOGWPZYFFOK-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.10
Rot. Bonds1

About 7-fluoro-4-methoxy-1,4-dihydroisoquinoline

7-fluoro-4-methoxy-1,4-dihydroisoquinoline (PubChem CID 123395742) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-fluoro-4-methoxy-1,4-dihydroisoquinoline
PubChem CID123395742
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name7-fluoro-4-methoxy-1,4-dihydroisoquinoline
SMILESCOC1C=NCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO/c1-13-10-6-12-5-7-4-8(11)2-3-9(7)10/h2-4,6,10H,5H2,1H3
InChIKeySCSLOGWPZYFFOK-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-4-methoxy-1,4-dihydroisoquinoline 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-4-methoxy-1,4-dihydroisoquinoline?
The IUPAC name of 7-fluoro-4-methoxy-1,4-dihydroisoquinoline (CID 123395742) is 7-fluoro-4-methoxy-1,4-dihydroisoquinoline.
What is the SMILES notation for 7-fluoro-4-methoxy-1,4-dihydroisoquinoline?
The canonical SMILES for 7-fluoro-4-methoxy-1,4-dihydroisoquinoline is COC1C=NCc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-methoxy-1,4-dihydroisoquinoline?
The InChIKey is SCSLOGWPZYFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-13-10-6-12-5-7-4-8(11)2-3-9(7)10/h2-4,6,10H,5H2,1H3.
What are the key properties of 7-fluoro-4-methoxy-1,4-dihydroisoquinoline?
7-fluoro-4-methoxy-1,4-dihydroisoquinoline has a molecular weight of 179.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-1,4-dihydroisoquinoline is sourced from PubChem (CID 123395742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).