1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one

C23H19FN6O2 — CID 18153287

IUPAC1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)nn1-c1ccccc1F
InChIInChI=1S/C23H19FN6O2/c1-14-13-19(31)20(27-30(14)18-10-6-3-7-15(18)24)23(32)29-12-11-28(2)21-22(29)26-17-9-5-4-8-16(17)25-21/h3-10,13H,11-12H2,1-2H3
InChIKeyLLDLKUGWXHIOKD-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one

1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one (PubChem CID 18153287) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
PubChem CID18153287
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)nn1-c1ccccc1F
InChIInChI=1S/C23H19FN6O2/c1-14-13-19(31)20(27-30(14)18-10-6-3-7-15(18)24)23(32)29-12-11-28(2)21-22(29)26-17-9-5-4-8-16(17)25-21/h3-10,13H,11-12H2,1-2H3
InChIKeyLLDLKUGWXHIOKD-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one with MolForge

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Related Compounds

2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide
CID 26706128
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
CID 16623282
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one (CID 18153287) is 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one?
The InChIKey is LLDLKUGWXHIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-14-13-19(31)20(27-30(14)18-10-6-3-7-15(18)24)23(32)29-12-11-28(2)21-22(29)26-17-9-5-4-8-16(17)25-21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one?
1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one has a molecular weight of 430.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one is sourced from PubChem (CID 18153287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).