2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C20H8Cl4N2O2 — CID 58607360

IUPAC2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc(Cl)c(Cl)cc2[nH]c2cc3c(=O)c4cc(Cl)c(Cl)cc4[nH]c3cc12
InChIInChI=1S/C20H8Cl4N2O2/c21-11-1-7-17(5-13(11)23)25-15-4-10-16(3-9(15)19(7)27)26-18-6-14(24)12(22)2-8(18)20(10)28/h1-6H,(H,25,27)(H,26,28)
InChIKeyVJQFODKXQDXLBL-UHFFFAOYSA-N
MW450.11 g/mol
LogP6.29
Rot. Bonds

About 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 58607360) has the molecular formula C20H8Cl4N2O2 and a molecular weight of 450.11 g/mol. Its IUPAC name is 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID58607360
Molecular FormulaC20H8Cl4N2O2
Molecular Weight450.11 g/mol
Exact Mass447.93
IUPAC Name2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc(Cl)c(Cl)cc2[nH]c2cc3c(=O)c4cc(Cl)c(Cl)cc4[nH]c3cc12
InChIInChI=1S/C20H8Cl4N2O2/c21-11-1-7-17(5-13(11)23)25-15-4-10-16(3-9(15)19(7)27)26-18-6-14(24)12(22)2-8(18)20(10)28/h1-6H,(H,25,27)(H,26,28)
InChIKeyVJQFODKXQDXLBL-UHFFFAOYSA-N
XLogP6.29
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.11
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58880554
2-(6,7-dichloro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82247017
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607353
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide
CID 71035290
8,9-dichloro-2,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
CID 135409416
7,8-dichloro-1,2,3,5-tetrahydropyrazolo[4,3-c]quinolin-4-one
CID 140975889
8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one
CID 135511825
2,5,6-trichloro-1H-indole-3-carbonitrile
CID 82269544

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 58607360) is 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is O=c1c2cc(Cl)c(Cl)cc2[nH]c2cc3c(=O)c4cc(Cl)c(Cl)cc4[nH]c3cc12.
What is the InChIKey of 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is VJQFODKXQDXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl4N2O2/c21-11-1-7-17(5-13(11)23)25-15-4-10-16(3-9(15)19(7)27)26-18-6-14(24)12(22)2-8(18)20(10)28/h1-6H,(H,25,27)(H,26,28).
What are the key properties of 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 450.11 g/mol, XLogP of 6.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 58607360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).