4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one

C18H11N5O — CID 135900468

IUPAC4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
SMILESO=c1[nH]nc(-c2cnc3ccccc3n2)c2[nH]c3ccccc3c12
InChIInChI=1S/C18H11N5O/c24-18-15-10-5-1-2-6-11(10)21-17(15)16(22-23-18)14-9-19-12-7-3-4-8-13(12)20-14/h1-9,21H,(H,23,24)
InChIKeyORKSCVIMWMBJSV-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.01
Rot. Bonds1

About 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one

4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one (PubChem CID 135900468) has the molecular formula C18H11N5O and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one.

Molecular Properties

Compound Name4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
PubChem CID135900468
Molecular FormulaC18H11N5O
Molecular Weight313.32 g/mol
Exact Mass313.10
IUPAC Name4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
SMILESO=c1[nH]nc(-c2cnc3ccccc3n2)c2[nH]c3ccccc3c12
InChIInChI=1S/C18H11N5O/c24-18-15-10-5-1-2-6-11(10)21-17(15)16(22-23-18)14-9-19-12-7-3-4-8-13(12)20-14/h1-9,21H,(H,23,24)
InChIKeyORKSCVIMWMBJSV-UHFFFAOYSA-N
XLogP3.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-phenyl-1,5-dihydropyrazolo[4,5-c]quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one?
The IUPAC name of 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one (CID 135900468) is 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one.
What is the SMILES notation for 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one?
The canonical SMILES for 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one is O=c1[nH]nc(-c2cnc3ccccc3n2)c2[nH]c3ccccc3c12.
What is the InChIKey of 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one?
The InChIKey is ORKSCVIMWMBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O/c24-18-15-10-5-1-2-6-11(10)21-17(15)16(22-23-18)14-9-19-12-7-3-4-8-13(12)20-14/h1-9,21H,(H,23,24).
What are the key properties of 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one?
4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one has a molecular weight of 313.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one is sourced from PubChem (CID 135900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).