5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C22H24ClF3N4O3 — CID 137415961

IUPAC5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(CC(F)(F)F)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H24ClF3N4O3/c23-14-10-13-11-15(19(31)30-8-6-29(7-9-30)12-22(24,25)26)33-18(13)16-17(14)27-20(32)28-21(16)4-2-1-3-5-21/h10-11H,1-9,12H2,(H2,27,28,32)
InChIKeyXVSOJCVTOKAGKD-UHFFFAOYSA-N
MW484.91 g/mol
LogP4.70
Rot. Bonds2

About 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137415961) has the molecular formula C22H24ClF3N4O3 and a molecular weight of 484.91 g/mol. Its IUPAC name is 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137415961
Molecular FormulaC22H24ClF3N4O3
Molecular Weight484.91 g/mol
Exact Mass484.15
IUPAC Name5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(CC(F)(F)F)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H24ClF3N4O3/c23-14-10-13-11-15(19(31)30-8-6-29(7-9-30)12-22(24,25)26)33-18(13)16-17(14)27-20(32)28-21(16)4-2-1-3-5-21/h10-11H,1-9,12H2,(H2,27,28,32)
InChIKeyXVSOJCVTOKAGKD-UHFFFAOYSA-N
XLogP4.70
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-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 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137415961) is 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(CC(F)(F)F)CC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is XVSOJCVTOKAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O3/c23-14-10-13-11-15(19(31)30-8-6-29(7-9-30)12-22(24,25)26)33-18(13)16-17(14)27-20(32)28-21(16)4-2-1-3-5-21/h10-11H,1-9,12H2,(H2,27,28,32).
What are the key properties of 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 484.91 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137415961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).