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

C20H17N3O2 — CID 11566147

IUPAC6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESNCCNc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C20H17N3O2/c21-11-12-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-5-2-1-3-6-13/h1-10,22H,11-12,21H2
InChIKeyPBFVSVNKSRHMPI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.01
Rot. Bonds4

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

6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 11566147) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID11566147
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESNCCNc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C20H17N3O2/c21-11-12-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-5-2-1-3-6-13/h1-10,22H,11-12,21H2
InChIKeyPBFVSVNKSRHMPI-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.01
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

6-(2-aminoethylamino)-2-(3-bromophenyl)benzo[de]isoquinoline-1,3-dione
CID 11603937
6-(2-aminoethylamino)-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 15404948
2-(4-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11596714
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
4-[6-(butylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]benzenesulfonamide
CID 71741249
benzyl N-[2-[[2-(3-bromophenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]ethyl]carbamate
CID 11706582
6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)naphthalen-1-yl]-2-phenylbenzo[de]isoquinoline-1,3-dione;6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 158544126
6-(benzylamino)-2-[4-[(E)-1,2-diphenylprop-1-enyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 167712949
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-[6-[2-[2-[2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 86275855
2-phenyl-6-(5-phenylthiophen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 177498171
2-(3-bromophenyl)-6-(pyridin-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione
CID 11655478
6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 163982470

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione (CID 11566147) is 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione is NCCNc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is PBFVSVNKSRHMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-11-12-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-5-2-1-3-6-13/h1-10,22H,11-12,21H2.
What are the key properties of 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione?
6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 331.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 11566147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).