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

C26H24N2O2 — CID 139796199

IUPAC2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(C(C)(C)C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C26H24N2O2/c1-5-28-22-11-10-15(26(2,3)4)12-18(22)25(30)19-13-21-17(14-23(19)28)24(29)16-8-6-7-9-20(16)27-21/h6-14H,5H2,1-4H3,(H,27,29)
InChIKeyBFOCABZAMJRCDT-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.47
Rot. Bonds1

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

2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139796199) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139796199
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(C(C)(C)C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C26H24N2O2/c1-5-28-22-11-10-15(26(2,3)4)12-18(22)25(30)19-13-21-17(14-23(19)28)24(29)16-8-6-7-9-20(16)27-21/h6-14H,5H2,1-4H3,(H,27,29)
InChIKeyBFOCABZAMJRCDT-UHFFFAOYSA-N
XLogP5.47
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157
5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796151
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
7,24-ditert-butyl-11,20-diethyl-11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5(10),6,8,13,15,17,19(27),21(26),22,24-tridecaene
CID 177432992
5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
9H-carbazole;9-ethylcarbazole
CID 159391034
9-ethyl-3-tritylcarbazole
CID 91743871
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139796199) is 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione is CCn1c2ccc(C(C)(C)C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21.
What is the InChIKey of 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is BFOCABZAMJRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-5-28-22-11-10-15(26(2,3)4)12-18(22)25(30)19-13-21-17(14-23(19)28)24(29)16-8-6-7-9-20(16)27-21/h6-14H,5H2,1-4H3,(H,27,29).
What are the key properties of 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 396.49 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139796199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).