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

C24H20F3N3O3 — CID 3238729

IUPAC(6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1
InChIInChI=1S/C24H20F3N3O3/c1-32-19-5-6-20-15(12-19)11-16-13-21(33-22(16)28-20)23(31)30-9-7-29(8-10-30)18-4-2-3-17(14-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3
InChIKeyIITGCWUQIAVQPQ-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.97
Rot. Bonds3

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

(6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 3238729) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID3238729
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name(6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1
InChIInChI=1S/C24H20F3N3O3/c1-32-19-5-6-20-15(12-19)11-16-13-21(33-22(16)28-20)23(31)30-9-7-29(8-10-30)18-4-2-3-17(14-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3
InChIKeyIITGCWUQIAVQPQ-UHFFFAOYSA-N
XLogP4.97
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 3238729) is (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1.
What is the InChIKey of (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is IITGCWUQIAVQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-32-19-5-6-20-15(12-19)11-16-13-21(33-22(16)28-20)23(31)30-9-7-29(8-10-30)18-4-2-3-17(14-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3.
What are the key properties of (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 455.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyfuro[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3238729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).