15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione

C23H20ClN3O4 — CID 118882476

IUPAC15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione
SMILESO=c1n(-c2ccc(Cl)cc2)c(=O)n2n1CC=C1C2c2ccc(O)cc2OC12CCCC2
InChIInChI=1S/C23H20ClN3O4/c24-14-3-5-15(6-4-14)26-21(29)25-12-9-18-20(27(25)22(26)30)17-8-7-16(28)13-19(17)31-23(18)10-1-2-11-23/h3-9,13,20,28H,1-2,10-12H2
InChIKeyHRPINLCWWCBXAF-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.39
Rot. Bonds1

About 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione

15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione (PubChem CID 118882476) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione.

Molecular Properties

Compound Name15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione
PubChem CID118882476
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione
SMILESO=c1n(-c2ccc(Cl)cc2)c(=O)n2n1CC=C1C2c2ccc(O)cc2OC12CCCC2
InChIInChI=1S/C23H20ClN3O4/c24-14-3-5-15(6-4-14)26-21(29)25-12-9-18-20(27(25)22(26)30)17-8-7-16(28)13-19(17)31-23(18)10-1-2-11-23/h3-9,13,20,28H,1-2,10-12H2
InChIKeyHRPINLCWWCBXAF-UHFFFAOYSA-N
XLogP3.39
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione?
The IUPAC name of 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione (CID 118882476) is 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione.
What is the SMILES notation for 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione?
The canonical SMILES for 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione is O=c1n(-c2ccc(Cl)cc2)c(=O)n2n1CC=C1C2c2ccc(O)cc2OC12CCCC2.
What is the InChIKey of 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione?
The InChIKey is HRPINLCWWCBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-14-3-5-15(6-4-14)26-21(29)25-12-9-18-20(27(25)22(26)30)17-8-7-16(28)13-19(17)31-23(18)10-1-2-11-23/h3-9,13,20,28H,1-2,10-12H2.
What are the key properties of 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione?
15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione has a molecular weight of 437.88 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-chlorophenyl)-5-hydroxyspiro[8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-9,1'-cyclopentane]-14,16-dione is sourced from PubChem (CID 118882476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).