[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone

C19H19N5O2 — CID 91627765

IUPAC[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(OC2CCCN(C(=O)c3cnc4ccccc4n3)C2)nn1
InChIInChI=1S/C19H19N5O2/c1-13-8-9-18(23-22-13)26-14-5-4-10-24(12-14)19(25)17-11-20-15-6-2-3-7-16(15)21-17/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyJEGDSVDPAQHIAN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.41
Rot. Bonds3

About [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone

[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 91627765) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID91627765
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(OC2CCCN(C(=O)c3cnc4ccccc4n3)C2)nn1
InChIInChI=1S/C19H19N5O2/c1-13-8-9-18(23-22-13)26-14-5-4-10-24(12-14)19(25)17-11-20-15-6-2-3-7-16(15)21-17/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyJEGDSVDPAQHIAN-UHFFFAOYSA-N
XLogP2.41
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642537
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 100641225
(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100641925
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone (CID 91627765) is [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone is Cc1ccc(OC2CCCN(C(=O)c3cnc4ccccc4n3)C2)nn1.
What is the InChIKey of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is JEGDSVDPAQHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-8-9-18(23-22-13)26-14-5-4-10-24(12-14)19(25)17-11-20-15-6-2-3-7-16(15)21-17/h2-3,6-9,11,14H,4-5,10,12H2,1H3.
What are the key properties of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone?
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 91627765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).