6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione

C25H29N3O3 — CID 54583446

IUPAC6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCN(C)C)C2=O
InChIInChI=1S/C25H29N3O3/c1-26(2)13-8-16-31-20-12-7-11-19-21(20)23-22(24(19)29)17-9-5-6-10-18(17)25(30)28(23)15-14-27(3)4/h5-7,9-12H,8,13-16H2,1-4H3
InChIKeyONBOSNBFEMCLTA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.11
Rot. Bonds8

About 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione

6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 54583446) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID54583446
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCN(C)C)C2=O
InChIInChI=1S/C25H29N3O3/c1-26(2)13-8-16-31-20-12-7-11-19-21(20)23-22(24(19)29)17-9-5-6-10-18(17)25(30)28(23)15-14-27(3)4/h5-7,9-12H,8,13-16H2,1-4H3
InChIKeyONBOSNBFEMCLTA-UHFFFAOYSA-N
XLogP3.11
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
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-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione (CID 54583446) is 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCN(C)C)C2=O.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is ONBOSNBFEMCLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-26(2)13-8-16-31-20-12-7-11-19-21(20)23-22(24(19)29)17-9-5-6-10-18(17)25(30)28(23)15-14-27(3)4/h5-7,9-12H,8,13-16H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 419.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-7-[3-(dimethylamino)propoxy]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 54583446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).