12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione

C32H24ClN3O3 — CID 71814770

IUPAC12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione
SMILESO=C(C1=C2NC3CCCCC3N2C2=C(C(=O)c3ccccc32)C12C(=O)Nc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C32H24ClN3O3/c33-18-15-13-17(14-16-18)28(37)26-30-34-23-11-5-6-12-24(23)36(30)27-19-7-1-2-8-20(19)29(38)25(27)32(26)21-9-3-4-10-22(21)35-31(32)39/h1-4,7-10,13-16,23-24,34H,5-6,11-12H2,(H,35,39)
InChIKeyQFUGJIBQLIOVIV-UHFFFAOYSA-N
MW534.02 g/mol
LogP5.46
Rot. Bonds2

About 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione

12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione (PubChem CID 71814770) has the molecular formula C32H24ClN3O3 and a molecular weight of 534.02 g/mol. Its IUPAC name is 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione.

Molecular Properties

Compound Name12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione
PubChem CID71814770
Molecular FormulaC32H24ClN3O3
Molecular Weight534.02 g/mol
Exact Mass533.15
IUPAC Name12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione
SMILESO=C(C1=C2NC3CCCCC3N2C2=C(C(=O)c3ccccc32)C12C(=O)Nc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C32H24ClN3O3/c33-18-15-13-17(14-16-18)28(37)26-30-34-23-11-5-6-12-24(23)36(30)27-19-7-1-2-8-20(19)29(38)25(27)32(26)21-9-3-4-10-22(21)35-31(32)39/h1-4,7-10,13-16,23-24,34H,5-6,11-12H2,(H,35,39)
InChIKeyQFUGJIBQLIOVIV-UHFFFAOYSA-N
XLogP5.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.02
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione?
The IUPAC name of 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione (CID 71814770) is 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione.
What is the SMILES notation for 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione?
The canonical SMILES for 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione is O=C(C1=C2NC3CCCCC3N2C2=C(C(=O)c3ccccc32)C12C(=O)Nc1ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione?
The InChIKey is QFUGJIBQLIOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClN3O3/c33-18-15-13-17(14-16-18)28(37)26-30-34-23-11-5-6-12-24(23)36(30)27-19-7-1-2-8-20(19)29(38)25(27)32(26)21-9-3-4-10-22(21)35-31(32)39/h1-4,7-10,13-16,23-24,34H,5-6,11-12H2,(H,35,39).
What are the key properties of 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione?
12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione has a molecular weight of 534.02 g/mol, XLogP of 5.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione is sourced from PubChem (CID 71814770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).