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

C20H16N2O3 — CID 4596908

IUPAC6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-12-11-21-17-10-9-16-18-14(17)7-4-8-15(18)19(24)22(20(16)25)13-5-2-1-3-6-13/h1-10,21,23H,11-12H2
InChIKeyMIFATWFHPRFJPQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.04
Rot. Bonds4

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

6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 4596908) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID4596908
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-12-11-21-17-10-9-16-18-14(17)7-4-8-15(18)19(24)22(20(16)25)13-5-2-1-3-6-13/h1-10,21,23H,11-12H2
InChIKeyMIFATWFHPRFJPQ-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amonafide
CID 50515
4-Amino-1,8-naphthalimide
CID 1720
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
2-(3-Bromophenyl)-6-((2-hydroxyethyl)amino)-1H-benzo(DE)isoquinoline-1,3(2H)-dione
CID 4177750
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
1H-benzo[de]isoquinoline-1,3(2H)-dione, 16
CID 11604802
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one
CID 44403357
SARS-CoV-2 PLpro Inhibitor, 6
CID 156907148

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione (CID 4596908) is 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is MIFATWFHPRFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-12-11-21-17-10-9-16-18-14(17)7-4-8-15(18)19(24)22(20(16)25)13-5-2-1-3-6-13/h1-10,21,23H,11-12H2.
What are the key properties of 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 332.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 4596908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).