6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione

C15H13NO3 — CID 121316447

IUPAC6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
SMILESCC(C)Oc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C15H13NO3/c1-8(2)19-12-7-6-11-13-9(12)4-3-5-10(13)14(17)16-15(11)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyBJCRVVJZVUWXQK-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.51
Rot. Bonds2

About 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione

6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione (PubChem CID 121316447) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
PubChem CID121316447
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
SMILESCC(C)Oc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C15H13NO3/c1-8(2)19-12-7-6-11-13-9(12)4-3-5-10(13)14(17)16-15(11)18/h3-8H,1-2H3,(H,16,17,18)
InChIKeyBJCRVVJZVUWXQK-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 59769093
N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
CID 2841476
5-ethoxy-1H-benzo[cd]indol-2-one
CID 23460821
6-[1-(ethylamino)ethylamino]benzo[de]isoquinoline-1,3-dione
CID 140524885
6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
CID 102140808
6-amino-5-bromobenzo[de]isoquinoline-1,3-dione
CID 15404871
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
6-methoxyphenalene-1,3-dione
CID 22763709
benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
6-phenyl-1H-benzo[cd]indol-2-one
CID 165358771
1,2,9,10-tetra(propan-2-yloxy)anthracene
CID 139929958

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione (CID 121316447) is 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione is CC(C)Oc1ccc2c3c(cccc13)C(=O)NC2=O.
What is the InChIKey of 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is BJCRVVJZVUWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-8(2)19-12-7-6-11-13-9(12)4-3-5-10(13)14(17)16-15(11)18/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 255.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 121316447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).