2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione

C25H22N2O2 — CID 139791360

IUPAC2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2[nH]c3cc4c(=O)c5cc(C)cc(C)c5n(C)c4cc3c(=O)c2c1
InChIInChI=1S/C25H22N2O2/c1-12-6-14(3)22-18(8-12)24(28)16-11-21-17(10-20(16)26-22)25(29)19-9-13(2)7-15(4)23(19)27(21)5/h6-11H,1-5H3,(H,26,28)
InChIKeyWUGPZNNSIUKJAW-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.92
Rot. Bonds

About 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione

2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139791360) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139791360
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2[nH]c3cc4c(=O)c5cc(C)cc(C)c5n(C)c4cc3c(=O)c2c1
InChIInChI=1S/C25H22N2O2/c1-12-6-14(3)22-18(8-12)24(28)16-11-21-17(10-20(16)26-22)25(29)19-9-13(2)7-15(4)23(19)27(21)5/h6-11H,1-5H3,(H,26,28)
InChIKeyWUGPZNNSIUKJAW-UHFFFAOYSA-N
XLogP4.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139791360) is 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione is Cc1cc(C)c2[nH]c3cc4c(=O)c5cc(C)cc(C)c5n(C)c4cc3c(=O)c2c1.
What is the InChIKey of 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is WUGPZNNSIUKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-12-6-14(3)22-18(8-12)24(28)16-11-21-17(10-20(16)26-22)25(29)19-9-13(2)7-15(4)23(19)27(21)5/h6-11H,1-5H3,(H,26,28).
What are the key properties of 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione?
2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 382.46 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139791360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).