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

C33H25N3O3 — CID 155810643

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

10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one (PubChem CID 155810643) has the molecular formula C33H25N3O3 and a molecular weight of 511.58 g/mol. Its IUPAC name is 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one.

Molecular Properties

• Compound Name: 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
• PubChem CID: 155810643
• Molecular Formula: C33H25N3O3
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.19
• IUPAC Name: 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
• SMILES: O=C1Nc2ccccc2/C1=C/c1cn(C[C@@H](O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12
• InChI: 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-/t22-/m1/s1
• InChIKey: DTINRFLXDFJJLM-AWXAQXEGSA-N
• XLogP: 5.66
• TPSA: 76.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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'}

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?

The IUPAC name of 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one (CID 155810643) is 10-[(2R)-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-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?

The canonical SMILES for 10-[(2R)-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(C[C@@H](O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12.

What is the InChIKey of 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?

The InChIKey is DTINRFLXDFJJLM-AWXAQXEGSA-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-/t22-/m1/s1.

What are the key properties of 10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one?

10-[(2R)-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-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one is sourced from PubChem (CID 155810643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).