5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione

C26H24N2O2 — CID 139796151

IUPAC5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCCCn1c2ccc(CC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C26H24N2O2/c1-3-5-12-28-23-11-10-16(4-2)13-19(23)26(30)20-14-22-18(15-24(20)28)25(29)17-8-6-7-9-21(17)27-22/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,29)
InChIKeyBEIXUDJUUHRIOT-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.51
Rot. Bonds4

About 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione

5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139796151) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139796151
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCCCn1c2ccc(CC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C26H24N2O2/c1-3-5-12-28-23-11-10-16(4-2)13-19(23)26(30)20-14-22-18(15-24(20)28)25(29)17-8-6-7-9-21(17)27-22/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,29)
InChIKeyBEIXUDJUUHRIOT-UHFFFAOYSA-N
XLogP5.51
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157
5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796199
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
2,7-dibromo-10-butylacridin-9-one
CID 86036844
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione
CID 143390862
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
2,9-bis(1-benzothiophen-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione
CID 138622628
2-octoxy-10H-acridin-9-one
CID 611041

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139796151) is 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione is CCCCn1c2ccc(CC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21.
What is the InChIKey of 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is BEIXUDJUUHRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-3-5-12-28-23-11-10-16(4-2)13-19(23)26(30)20-14-22-18(15-24(20)28)25(29)17-8-6-7-9-21(17)27-22/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,29).
What are the key properties of 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 396.49 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).