pyridazino[4,5-b]quinoline-1,4-dione

C11H5N3O2 — CID 73192756

IUPACpyridazino[4,5-b]quinoline-1,4-dione
SMILESO=C1N=NC(=O)c2nc3ccccc3cc21
InChIInChI=1S/C11H5N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)11(16)14-13-10/h1-5H
InChIKeyXNQJIUJFYRTHQP-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.98
Rot. Bonds

About pyridazino[4,5-b]quinoline-1,4-dione

pyridazino[4,5-b]quinoline-1,4-dione (PubChem CID 73192756) has the molecular formula C11H5N3O2 and a molecular weight of 211.18 g/mol. Its IUPAC name is pyridazino[4,5-b]quinoline-1,4-dione.

Molecular Properties

Compound Namepyridazino[4,5-b]quinoline-1,4-dione
PubChem CID73192756
Molecular FormulaC11H5N3O2
Molecular Weight211.18 g/mol
Exact Mass211.04
IUPAC Namepyridazino[4,5-b]quinoline-1,4-dione
SMILESO=C1N=NC(=O)c2nc3ccccc3cc21
InChIInChI=1S/C11H5N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)11(16)14-13-10/h1-5H
InChIKeyXNQJIUJFYRTHQP-UHFFFAOYSA-N
XLogP1.98
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acridine
CID 21226281
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
CID 130399990
2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione
CID 134092748
(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione
CID 901399
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;methane
CID 21324126
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one
CID 177428243
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid
CID 162625229

Frequently Asked Questions

What is the IUPAC name of pyridazino[4,5-b]quinoline-1,4-dione?
The IUPAC name of pyridazino[4,5-b]quinoline-1,4-dione (CID 73192756) is pyridazino[4,5-b]quinoline-1,4-dione.
What is the SMILES notation for pyridazino[4,5-b]quinoline-1,4-dione?
The canonical SMILES for pyridazino[4,5-b]quinoline-1,4-dione is O=C1N=NC(=O)c2nc3ccccc3cc21.
What is the InChIKey of pyridazino[4,5-b]quinoline-1,4-dione?
The InChIKey is XNQJIUJFYRTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)11(16)14-13-10/h1-5H.
What are the key properties of pyridazino[4,5-b]quinoline-1,4-dione?
pyridazino[4,5-b]quinoline-1,4-dione has a molecular weight of 211.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazino[4,5-b]quinoline-1,4-dione is sourced from PubChem (CID 73192756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).