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

C17H17NO2 — CID 135033343

IUPAC1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione
SMILESCCC1(C)C(=O)N(C)C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C17H17NO2/c1-4-17(2)14-12-8-6-5-7-11(12)9-10-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3
InChIKeyLEGIWLWTPWACAK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.12
Rot. Bonds1

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

1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione (PubChem CID 135033343) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione
PubChem CID135033343
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione
SMILESCCC1(C)C(=O)N(C)C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C17H17NO2/c1-4-17(2)14-12-8-6-5-7-11(12)9-10-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3
InChIKeyLEGIWLWTPWACAK-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

4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
CID 135032468
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
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CID 22648583
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
(1E,3E)-1,3-bis(1,1,3-trimethylbenzo[e]indol-2-ylidene)propan-2-one
CID 58705042
(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2248707
2,14,19,23-tetraethyl-8,21-dimethyl-8,21-diazadecacyclo[16.12.2.23,6.02,14.04,13.05,10.015,31.019,23.024,32.025,30]tetratriaconta-1(31),3(34),4(13),5(10),6(33),11,15,17,24(32),25,27,29-dodecaene-7,9,20,22-tetrone
CID 91349960
3-hydroxy-4-[(Z)-(1,1,3-trimethylbenzo[e]indol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
CID 102195209
(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
CID 21138647
7-chloro-3-ethyl-1,3-dimethylindol-2-one
CID 121011616
2-[3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl]isoindole-1,3-dione bromide
CID 23283808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione?
The IUPAC name of 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione (CID 135033343) is 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione.
What is the SMILES notation for 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione?
The canonical SMILES for 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione is CCC1(C)C(=O)N(C)C(=O)c2ccc3ccccc3c21.
What is the InChIKey of 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione?
The InChIKey is LEGIWLWTPWACAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-17(2)14-12-8-6-5-7-11(12)9-10-13(14)15(19)18(3)16(17)20/h5-10H,4H2,1-3H3.
What are the key properties of 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione?
1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-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 1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione is sourced from PubChem (CID 135033343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).