2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile

C19H10N4O3 — CID 102015042

IUPAC2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile
SMILESN#Cc1c(=O)c(C(=O)c2ccccc2)nn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H10N4O3/c20-10-13-17(25)15(16(24)11-6-2-1-3-7-11)22-23-14-9-5-4-8-12(14)19(26)21-18(13)23/h1-9H,(H,21,26)
InChIKeyIHNUVIAIEAYJRQ-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.64
Rot. Bonds2

About 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile

2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile (PubChem CID 102015042) has the molecular formula C19H10N4O3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile
PubChem CID102015042
Molecular FormulaC19H10N4O3
Molecular Weight342.31 g/mol
Exact Mass342.08
IUPAC Name2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile
SMILESN#Cc1c(=O)c(C(=O)c2ccccc2)nn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H10N4O3/c20-10-13-17(25)15(16(24)11-6-2-1-3-7-11)22-23-14-9-5-4-8-12(14)19(26)21-18(13)23/h1-9H,(H,21,26)
InChIKeyIHNUVIAIEAYJRQ-UHFFFAOYSA-N
XLogP1.64
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
CID 135747029
10-benzoylanthracene-9-carbonitrile
CID 71356838
10-nitro-5,12-dioxo-6H-isoquinolino[2,3-a]quinazoline-7-carbonitrile
CID 10860531
5-amino-3-benzoyl-1-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 14362916
1-benzoylindazole-3-carbonitrile
CID 71818548
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid
CID 67751243
2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile
CID 135449644
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136931713
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile?
The IUPAC name of 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile (CID 102015042) is 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile.
What is the SMILES notation for 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile?
The canonical SMILES for 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile is N#Cc1c(=O)c(C(=O)c2ccccc2)nn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile?
The InChIKey is IHNUVIAIEAYJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N4O3/c20-10-13-17(25)15(16(24)11-6-2-1-3-7-11)22-23-14-9-5-4-8-12(14)19(26)21-18(13)23/h1-9H,(H,21,26).
What are the key properties of 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile?
2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile has a molecular weight of 342.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile is sourced from PubChem (CID 102015042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).