2-butoxybenzo[de]isoquinoline-1,3-dione

C16H15NO3 — CID 2843403

IUPAC2-butoxybenzo[de]isoquinoline-1,3-dione
SMILESCCCCON1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C16H15NO3/c1-2-3-10-20-17-15(18)12-8-4-6-11-7-5-9-13(14(11)12)16(17)19/h4-9H,2-3,10H2,1H3
InChIKeyQMDKFSKZGHYPKA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.17
Rot. Bonds4

About 2-butoxybenzo[de]isoquinoline-1,3-dione

2-butoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 2843403) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-butoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-butoxybenzo[de]isoquinoline-1,3-dione
PubChem CID2843403
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-butoxybenzo[de]isoquinoline-1,3-dione
SMILESCCCCON1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C16H15NO3/c1-2-3-10-20-17-15(18)12-8-4-6-11-7-5-9-13(14(11)12)16(17)19/h4-9H,2-3,10H2,1H3
InChIKeyQMDKFSKZGHYPKA-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Naphthalimide
CID 66491
Scriptaid
CID 5186
Naftalofos
CID 15148
N-Hydroxynaphthalimide
CID 82263
2-Benzyl-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 267579
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
Ethyl 6-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}hexanoate
CID 2834390
2-Naphthalimidoethyl alcohol
CID 223681
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369
2-hydroxyisoquinoline-1,3(2H,4H)-dione
CID 514100
2-(5-Selenocyanato-pentyl)-benzo[de]isoquinoline 1,3-dione
CID 11983313
2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
CID 713096

Frequently Asked Questions

What is the IUPAC name of 2-butoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-butoxybenzo[de]isoquinoline-1,3-dione (CID 2843403) is 2-butoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-butoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-butoxybenzo[de]isoquinoline-1,3-dione is CCCCON1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-butoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is QMDKFSKZGHYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-3-10-20-17-15(18)12-8-4-6-11-7-5-9-13(14(11)12)16(17)19/h4-9H,2-3,10H2,1H3.
What are the key properties of 2-butoxybenzo[de]isoquinoline-1,3-dione?
2-butoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 269.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2843403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).