3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one

C20H18N4O2 — CID 75437047

IUPAC3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c25-19-11-10-16(21-22-19)20(26)24-13-12-23(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)24/h1-11H,12-14H2,(H,22,25)
InChIKeyIURFWAPDGDRXBH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.44
Rot. Bonds3

About 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one

3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 75437047) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
PubChem CID75437047
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c25-19-11-10-16(21-22-19)20(26)24-13-12-23(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)24/h1-11H,12-14H2,(H,22,25)
InChIKeyIURFWAPDGDRXBH-UHFFFAOYSA-N
XLogP2.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-4-carbonyl)-1H-pyridazin-6-one
CID 110742058
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
3-(4-benzylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 9070811
3-[4-(3-phenylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110808340
(3R)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559121
(3S)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559122
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea
CID 75443696
2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
CID 119891407
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110670033
(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 170439466

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one (CID 75437047) is 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is IURFWAPDGDRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19-11-10-16(21-22-19)20(26)24-13-12-23(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)24/h1-11H,12-14H2,(H,22,25).
What are the key properties of 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one?
3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 346.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 75437047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).