6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

C24H20N2O3 — CID 127253290

IUPAC6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)C(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1
InChIInChI=1S/C24H20N2O3/c1-25(2)19(20-12-7-13-29-20)14-26-22-16-9-4-5-10-17(16)23(27)21(22)15-8-3-6-11-18(15)24(26)28/h3-13,19H,14H2,1-2H3
InChIKeyNYEFLFLFSZNBRR-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.11
Rot. Bonds4

About 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 127253290) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID127253290
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)C(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1
InChIInChI=1S/C24H20N2O3/c1-25(2)19(20-12-7-13-29-20)14-26-22-16-9-4-5-10-17(16)23(27)21(22)15-8-3-6-11-18(15)24(26)28/h3-13,19H,14H2,1-2H3
InChIKeyNYEFLFLFSZNBRR-UHFFFAOYSA-N
XLogP4.11
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione with MolForge

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Related Compounds

3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
CID 30804945
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 67872285
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 132968815
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 54586247
6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 2826365

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 127253290) is 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)C(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1.
What is the InChIKey of 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is NYEFLFLFSZNBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-25(2)19(20-12-7-13-29-20)14-26-22-16-9-4-5-10-17(16)23(27)21(22)15-8-3-6-11-18(15)24(26)28/h3-13,19H,14H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 384.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 127253290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).