1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione

C24H17Cl3N2O2 — CID 139791344

IUPAC1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1c(Cl)c(Cl)cc(Cl)c1n3CC
InChIInChI=1S/C24H17Cl3N2O2/c1-3-28-17-8-6-5-7-12(17)23(30)13-9-19-14(10-18(13)28)24(31)20-21(27)15(25)11-16(26)22(20)29(19)4-2/h5-11H,3-4H2,1-2H3
InChIKeyTUFKMZCIVSHKRG-UHFFFAOYSA-N
MW471.77 g/mol
LogP6.62
Rot. Bonds2

About 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione

1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 139791344) has the molecular formula C24H17Cl3N2O2 and a molecular weight of 471.77 g/mol. Its IUPAC name is 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID139791344
Molecular FormulaC24H17Cl3N2O2
Molecular Weight471.77 g/mol
Exact Mass470.04
IUPAC Name1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1c(Cl)c(Cl)cc(Cl)c1n3CC
InChIInChI=1S/C24H17Cl3N2O2/c1-3-28-17-8-6-5-7-12(17)23(30)13-9-19-14(10-18(13)28)24(31)20-21(27)15(25)11-16(26)22(20)29(19)4-2/h5-11H,3-4H2,1-2H3
InChIKeyTUFKMZCIVSHKRG-UHFFFAOYSA-N
XLogP6.62
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966
5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
10-(9-ethylcarbazol-3-yl)acridin-9-one
CID 163562999
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
CID 24991794
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione (CID 139791344) is 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione is CCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1c(Cl)c(Cl)cc(Cl)c1n3CC.
What is the InChIKey of 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is TUFKMZCIVSHKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2/c1-3-28-17-8-6-5-7-12(17)23(30)13-9-19-14(10-18(13)28)24(31)20-21(27)15(25)11-16(26)22(20)29(19)4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione?
1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 471.77 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139791344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).