9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one

C25H28FN3O3 — CID 19825043

IUPAC9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
SMILESCC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCOCC1
InChIInChI=1S/C25H28FN3O3/c1-17(28-10-12-31-13-11-28)16-32-22-8-6-21(7-9-22)29-24(30)14-19-3-2-18-4-5-20(26)15-23(18)25(19)27-29/h4-9,15,17,19H,2-3,10-14,16H2,1H3
InChIKeyHYXLNZICIQROKR-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.63
Rot. Bonds5

About 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one

9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one (PubChem CID 19825043) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
PubChem CID19825043
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
SMILESCC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCOCC1
InChIInChI=1S/C25H28FN3O3/c1-17(28-10-12-31-13-11-28)16-32-22-8-6-21(7-9-22)29-24(30)14-19-3-2-18-4-5-20(26)15-23(18)25(19)27-29/h4-9,15,17,19H,2-3,10-14,16H2,1H3
InChIKeyHYXLNZICIQROKR-UHFFFAOYSA-N
XLogP3.63
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one 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 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one?
The IUPAC name of 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one (CID 19825043) is 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one is CC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCOCC1.
What is the InChIKey of 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one?
The InChIKey is HYXLNZICIQROKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-17(28-10-12-31-13-11-28)16-32-22-8-6-21(7-9-22)29-24(30)14-19-3-2-18-4-5-20(26)15-23(18)25(19)27-29/h4-9,15,17,19H,2-3,10-14,16H2,1H3.
What are the key properties of 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one?
9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one has a molecular weight of 437.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-[4-(2-morpholin-4-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 19825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).