6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione

C16H16N2O4 — CID 102140808

IUPAC6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(N(CCO)CCO)c3cccc1c23
InChIInChI=1S/C16H16N2O4/c19-8-6-18(7-9-20)13-5-4-12-14-10(13)2-1-3-11(14)15(21)17-16(12)22/h1-5,19-20H,6-9H2,(H,17,21,22)
InChIKeySJRWCXPZSNCKBS-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.51
Rot. Bonds5

About 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione

6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione (PubChem CID 102140808) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
PubChem CID102140808
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(N(CCO)CCO)c3cccc1c23
InChIInChI=1S/C16H16N2O4/c19-8-6-18(7-9-20)13-5-4-12-14-10(13)2-1-3-11(14)15(21)17-16(12)22/h1-5,19-20H,6-9H2,(H,17,21,22)
InChIKeySJRWCXPZSNCKBS-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[bis(2-hydroxyethyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 4891328
6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 121316447
1,1-bis(2-oxo-1H-benzo[cd]indol-6-yl)guanidine
CID 67594830
6-phenyl-1H-benzo[cd]indol-2-one
CID 165358771
6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
CID 23364586
2-(4-bromophenyl)-6-[2-hydroxyethyl(methyl)amino]benzo[de]isoquinoline-1,3-dione
CID 1105091
2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
CID 102014868
N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
CID 2841476
benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
[6-(dibutylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl] trifluoromethanesulfonate
CID 118970705
6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 23731504
6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471754

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione (CID 102140808) is 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2ccc(N(CCO)CCO)c3cccc1c23.
What is the InChIKey of 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is SJRWCXPZSNCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-8-6-18(7-9-20)13-5-4-12-14-10(13)2-1-3-11(14)15(21)17-16(12)22/h1-5,19-20H,6-9H2,(H,17,21,22).
What are the key properties of 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione?
6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 300.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102140808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).