10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one

C33H25N3O3 — CID 155547319

IUPAC10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
SMILESO=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H25N3O3/c37-22(20-36-30-15-7-3-11-25(30)32(38)26-12-4-8-16-31(26)36)19-35-18-21(23-9-2-6-14-29(23)35)17-27-24-10-1-5-13-28(24)34-33(27)39/h1-18,22,37H,19-20H2,(H,34,39)/b27-17-
InChIKeyDTINRFLXDFJJLM-PKAZHMFMSA-N
MW511.58 g/mol
LogP5.66
Rot. Bonds5

About 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one

10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one (PubChem CID 155547319) has the molecular formula C33H25N3O3 and a molecular weight of 511.58 g/mol. Its IUPAC name is 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
PubChem CID155547319
Molecular FormulaC33H25N3O3
Molecular Weight511.58 g/mol
Exact Mass511.19
IUPAC Name10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
SMILESO=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H25N3O3/c37-22(20-36-30-15-7-3-11-25(30)32(38)26-12-4-8-16-31(26)36)19-35-18-21(23-9-2-6-14-29(23)35)17-27-24-10-1-5-13-28(24)34-33(27)39/h1-18,22,37H,19-20H2,(H,34,39)/b27-17-
InChIKeyDTINRFLXDFJJLM-PKAZHMFMSA-N
XLogP5.66
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?
The IUPAC name of 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one (CID 155547319) is 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one.
What is the SMILES notation for 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?
The canonical SMILES for 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one is O=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12.
What is the InChIKey of 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?
The InChIKey is DTINRFLXDFJJLM-PKAZHMFMSA-N. The full InChI is InChI=1S/C33H25N3O3/c37-22(20-36-30-15-7-3-11-25(30)32(38)26-12-4-8-16-31(26)36)19-35-18-21(23-9-2-6-14-29(23)35)17-27-24-10-1-5-13-28(24)34-33(27)39/h1-18,22,37H,19-20H2,(H,34,39)/b27-17-.
What are the key properties of 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?
10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one has a molecular weight of 511.58 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one is sourced from PubChem (CID 155547319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).