[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone

C23H20FN3O3 — CID 3245575

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-6-7-19-15(13-17)12-16-14-21(30-22(16)25-19)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3
InChIKeyVLBBOSIYTZYYDG-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.09
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 3245575) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID3245575
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-6-7-19-15(13-17)12-16-14-21(30-22(16)25-19)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3
InChIKeyVLBBOSIYTZYYDG-UHFFFAOYSA-N
XLogP4.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone 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 [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone (CID 3245575) is [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone is COc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is VLBBOSIYTZYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-17-6-7-19-15(13-17)12-16-14-21(30-22(16)25-19)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 405.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 3245575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).