4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione

C17H17NO2 — CID 135032468

IUPAC4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
SMILESCCC1(C)C(=O)N(C)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C17H17NO2/c1-4-17(2)14-10-12-8-6-5-7-11(12)9-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3
InChIKeySRSASJACKAFVKW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.12
Rot. Bonds1

About 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione

4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione (PubChem CID 135032468) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
PubChem CID135032468
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
SMILESCCC1(C)C(=O)N(C)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C17H17NO2/c1-4-17(2)14-10-12-8-6-5-7-11(12)9-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3
InChIKeySRSASJACKAFVKW-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione
CID 135033343
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 134840605
7-chloro-3-ethyl-1,3-dimethylindol-2-one
CID 121011616
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
(4S)-2,4-dimethyl-4-phenacylisoquinoline-1,3-dione
CID 139094558
(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
CID 53327849
(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one
CID 146162623
(6-methoxy-2,4-dimethyl-1,3-dioxoisoquinolin-4-yl)methyl selenocyanate
CID 172557865
5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532914

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione?
The IUPAC name of 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione (CID 135032468) is 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione.
What is the SMILES notation for 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione?
The canonical SMILES for 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione is CCC1(C)C(=O)N(C)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione?
The InChIKey is SRSASJACKAFVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-17(2)14-10-12-8-6-5-7-11(12)9-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione?
4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione has a molecular weight of 267.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione is sourced from PubChem (CID 135032468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).