2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione

C26H26N4O4 — CID 91326951

IUPAC2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione
SMILESCCC(C)c1nc2ccccc2c2c1ncn2CCOCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26N4O4/c1-3-17(2)22-23-24(20-10-6-7-11-21(20)28-22)29(16-27-23)12-13-33-14-15-34-30-25(31)18-8-4-5-9-19(18)26(30)32/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyUXCLBKHEAHZGRV-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.34
Rot. Bonds9

About 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione

2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 91326951) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID91326951
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione
SMILESCCC(C)c1nc2ccccc2c2c1ncn2CCOCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26N4O4/c1-3-17(2)22-23-24(20-10-6-7-11-21(20)28-22)29(16-27-23)12-13-33-14-15-34-30-25(31)18-8-4-5-9-19(18)26(30)32/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyUXCLBKHEAHZGRV-UHFFFAOYSA-N
XLogP4.34
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-Imidazo[1,2-a]pyrimidin-3-yl-4-[10-(morpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
CID 44389389
2-[3-(7-Methylindolo[3,2-b]quinoxalin-6-yl)propyl]isoindole-1,3-dione
CID 1993618
10-(Imidazol-1-ylmethyl)-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
CID 24949086
Benzamide, N-[1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-yl]-
CID 10860862
2-(2-Methoxy-1-methylethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]isoindolin-1-one
CID 59421008
1H-Isoindole-1,3(2H)-dione, 2-((1-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)methyl)-
CID 3087637
3-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-N-[2-[2-(2-nitroimidazol-1-yl)ethoxy]ethyl]benzamide
CID 172442866
[4-[4-(2,3-Dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 177374054
2-(3-(9-methyl-6H-indolo[2,3-b]quinoxalin-6-yl)propyl)isoindoline-1,3-dione
CID 1528940
2-[[3-(2-Methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 45106186
3-{[3-(2-Methoxyethyl)-3H-imidazo[4,5-B]pyridin-2-YL]methyl}-1-(2-methylbenzoyl)pyrrolidine
CID 83278124
6-fluoro-2,3,4,5-tetrahydro-2-[[1-(methoxyethyl)-5-methyl-1H-imidazol-4-yl]methyl]-5-methyl-1H-pyrido[4,3-b]indol-1-one
CID 19799281

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione (CID 91326951) is 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione is CCC(C)c1nc2ccccc2c2c1ncn2CCOCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is UXCLBKHEAHZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-3-17(2)22-23-24(20-10-6-7-11-21(20)28-22)29(16-27-23)12-13-33-14-15-34-30-25(31)18-8-4-5-9-19(18)26(30)32/h4-11,16-17H,3,12-15H2,1-2H3.
What are the key properties of 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione?
2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 458.52 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 91326951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).