3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C20H10Cl2N2O2 — CID 58880554

IUPAC3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccc(Cl)cc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2O2/c21-9-4-5-10-15(6-9)23-16-7-13-17(8-12(16)19(10)25)24-18-11(20(13)26)2-1-3-14(18)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyIICIMJAZTJSXRS-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.98
Rot. Bonds

About 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 58880554) has the molecular formula C20H10Cl2N2O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID58880554
Molecular FormulaC20H10Cl2N2O2
Molecular Weight381.22 g/mol
Exact Mass380.01
IUPAC Name3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccc(Cl)cc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2O2/c21-9-4-5-10-15(6-9)23-16-7-13-17(8-12(16)19(10)25)24-18-11(20(13)26)2-1-3-14(18)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyIICIMJAZTJSXRS-UHFFFAOYSA-N
XLogP4.98
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
3-chloro-5-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 129138233
2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607360
3,4-dichloro-10H-acridin-9-one
CID 138629142
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
1,6-dichloro-4-nitro-10H-acridin-9-one
CID 154120208
7-chloro-2-[3-(2-chlorophenyl)prop-2-ynyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
CID 10295135
N-(5-chloro-9-oxo-10H-acridin-4-yl)formamide
CID 168651697

Frequently Asked Questions

What is the IUPAC name of 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 58880554) is 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is O=c1c2ccc(Cl)cc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12.
What is the InChIKey of 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is IICIMJAZTJSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O2/c21-9-4-5-10-15(6-9)23-16-7-13-17(8-12(16)19(10)25)24-18-11(20(13)26)2-1-3-14(18)22/h1-8H,(H,23,25)(H,24,26).
What are the key properties of 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 381.22 g/mol, XLogP of 4.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 58880554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).