6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride

C25H26Cl2N4O2 — CID 11477271

IUPAC6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1ccnc1
InChIInChI=1S/C25H24N4O2.2ClH/c30-24-20-9-3-2-8-19(20)23-22(24)18-7-1-4-10-21(18)25(31)29(23)15-6-12-26-11-5-14-28-16-13-27-17-28;;/h1-4,7-10,13,16-17,26H,5-6,11-12,14-15H2;2*1H
InChIKeySWFWUYBAXWOUQJ-UHFFFAOYSA-N
MW485.42 g/mol
LogP4.32
Rot. Bonds8

About 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride

6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride (PubChem CID 11477271) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride.

Molecular Properties

Compound Name6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
PubChem CID11477271
Molecular FormulaC25H26Cl2N4O2
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1ccnc1
InChIInChI=1S/C25H24N4O2.2ClH/c30-24-20-9-3-2-8-19(20)23-22(24)18-7-1-4-10-21(18)25(31)29(23)15-6-12-26-11-5-14-28-16-13-27-17-28;;/h1-4,7-10,13,16-17,26H,5-6,11-12,14-15H2;2*1H
InChIKeySWFWUYBAXWOUQJ-UHFFFAOYSA-N
XLogP4.32
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The IUPAC name of 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride (CID 11477271) is 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride.
What is the SMILES notation for 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The canonical SMILES for 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride is Cl.Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1ccnc1.
What is the InChIKey of 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The InChIKey is SWFWUYBAXWOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.2ClH/c30-24-20-9-3-2-8-19(20)23-22(24)18-7-1-4-10-21(18)25(31)29(23)15-6-12-26-11-5-14-28-16-13-27-17-28;;/h1-4,7-10,13,16-17,26H,5-6,11-12,14-15H2;2*1H.
What are the key properties of 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride has a molecular weight of 485.42 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-imidazol-1-ylpropylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride is sourced from PubChem (CID 11477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).