2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione

C18H20N2O3 — CID 11674020

IUPAC2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCCCCN1C(=O)c2cccc3c(NCCO)ccc(c23)C1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-10-20-17(22)13-6-4-5-12-15(19-9-11-21)8-7-14(16(12)13)18(20)23/h4-8,19,21H,2-3,9-11H2,1H3
InChIKeySVXMWILCOWBPMQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds6

About 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione

2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione (PubChem CID 11674020) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
PubChem CID11674020
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCCCCN1C(=O)c2cccc3c(NCCO)ccc(c23)C1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-10-20-17(22)13-6-4-5-12-15(19-9-11-21)8-7-14(16(12)13)18(20)23/h4-8,19,21H,2-3,9-11H2,1H3
InChIKeySVXMWILCOWBPMQ-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

6-(2-hydroxyethylamino)-2-octylbenzo[de]isoquinoline-1,3-dione
CID 44787344
2-butyl-6-(butylamino)-3-sulfanylidenebenzo[de]isoquinolin-1-one
CID 102581507
N-[2-[(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)amino]ethyl]prop-2-enamide
CID 178067786
6-(butylamino)-2-(3-oxobutyl)benzo[de]isoquinoline-1,3-dione
CID 149458345
8-[6-(hexadecylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]octanoic acid
CID 171854341
10-[6-(octylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]decanoic acid
CID 171854398
12-[6-(octadecylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]dodecanoic acid
CID 171854384
2-butyl-6-(2-phenylselanylethylamino)benzo[de]isoquinoline-1,3-dione
CID 70689394
10-[6-(dodecylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]decanoic acid
CID 171854376
4-[1,3-dioxo-6-(undecylamino)benzo[de]isoquinolin-2-yl]butanoic acid
CID 171854350
11-[6-(dodecylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]undecanoic acid
CID 171854359
8-[1,3-dioxo-6-(tridecylamino)benzo[de]isoquinolin-2-yl]octanoic acid
CID 171854396

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione (CID 11674020) is 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione is CCCCN1C(=O)c2cccc3c(NCCO)ccc(c23)C1=O.
What is the InChIKey of 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is SVXMWILCOWBPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-10-20-17(22)13-6-4-5-12-15(19-9-11-21)8-7-14(16(12)13)18(20)23/h4-8,19,21H,2-3,9-11H2,1H3.
What are the key properties of 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione?
2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 312.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 11674020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).