6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione

C21H20N2O3 — CID 67872285

IUPAC6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCC(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)NCCO
InChIInChI=1S/C21H20N2O3/c1-13(22-10-11-24)12-23-19-15-7-3-4-8-16(15)20(25)18(19)14-6-2-5-9-17(14)21(23)26/h2-9,13,22,24H,10-12H2,1H3
InChIKeyAQVAVEMPBNJDMV-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.18
Rot. Bonds5

About 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione

6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 67872285) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID67872285
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCC(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)NCCO
InChIInChI=1S/C21H20N2O3/c1-13(22-10-11-24)12-23-19-15-7-3-4-8-16(15)20(25)18(19)14-6-2-5-9-17(14)21(23)26/h2-9,13,22,24H,10-12H2,1H3
InChIKeyAQVAVEMPBNJDMV-UHFFFAOYSA-N
XLogP2.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 132968815
6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127254868
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-[(2S)-2,3-dihydroxypropyl]-3-methylsulfonylindeno[1,2-c]isoquinoline-5,11-dione
CID 122179159
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
3-bromo-6-[(2S)-2,3-dihydroxypropyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 122179148
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 67872285) is 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CC(Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)NCCO.
What is the InChIKey of 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is AQVAVEMPBNJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13(22-10-11-24)12-23-19-15-7-3-4-8-16(15)20(25)18(19)14-6-2-5-9-17(14)21(23)26/h2-9,13,22,24H,10-12H2,1H3.
What are the key properties of 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 348.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 67872285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).