11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C28H24ClN3O2 — CID 170059182

IUPAC11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2nccc3cc(OCCN4CCN(c5ccccc5Cl)CC4)cc1c23
InChIInChI=1S/C28H24ClN3O2/c29-24-7-3-4-8-25(24)32-13-11-31(12-14-32)15-16-34-20-17-19-9-10-30-27-21-5-1-2-6-22(21)28(33)23(18-20)26(19)27/h1-10,17-18H,11-16H2
InChIKeyUJSWTCDTHBYMOI-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.30
Rot. Bonds5

About 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 170059182) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID170059182
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2nccc3cc(OCCN4CCN(c5ccccc5Cl)CC4)cc1c23
InChIInChI=1S/C28H24ClN3O2/c29-24-7-3-4-8-25(24)32-13-11-31(12-14-32)15-16-34-20-17-19-9-10-30-27-21-5-1-2-6-22(21)28(33)23(18-20)26(19)27/h1-10,17-18H,11-16H2
InChIKeyUJSWTCDTHBYMOI-UHFFFAOYSA-N
XLogP5.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one with MolForge

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Related Compounds

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CID 170059353
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CID 11268901
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 53231532
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CID 69164528
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The IUPAC name of 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 170059182) is 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is O=C1c2ccccc2-c2nccc3cc(OCCN4CCN(c5ccccc5Cl)CC4)cc1c23.
What is the InChIKey of 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The InChIKey is UJSWTCDTHBYMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c29-24-7-3-4-8-25(24)32-13-11-31(12-14-32)15-16-34-20-17-19-9-10-30-27-21-5-1-2-6-22(21)28(33)23(18-20)26(19)27/h1-10,17-18H,11-16H2.
What are the key properties of 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 469.97 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 170059182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).