4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline

C22H27N5O2 — CID 504472

IUPAC4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline
SMILESCCOc1cnnc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-3-28-21-15-23-25-20-6-5-18(14-19(20)21)29-13-10-17-8-11-27(12-9-17)22-7-4-16(2)24-26-22/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKeyQPWNRFHGPKTVPK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds7

About 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline

4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline (PubChem CID 504472) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline.

Molecular Properties

Compound Name4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline
PubChem CID504472
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline
SMILESCCOc1cnnc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-3-28-21-15-23-25-20-6-5-18(14-19(20)21)29-13-10-17-8-11-27(12-9-17)22-7-4-16(2)24-26-22/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKeyQPWNRFHGPKTVPK-UHFFFAOYSA-N
XLogP3.81
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline?
The IUPAC name of 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline (CID 504472) is 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline.
What is the SMILES notation for 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline?
The canonical SMILES for 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline is CCOc1cnnc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc12.
What is the InChIKey of 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline?
The InChIKey is QPWNRFHGPKTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-28-21-15-23-25-20-6-5-18(14-19(20)21)29-13-10-17-8-11-27(12-9-17)22-7-4-16(2)24-26-22/h4-7,14-15,17H,3,8-13H2,1-2H3.
What are the key properties of 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline?
4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline has a molecular weight of 393.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]cinnoline is sourced from PubChem (CID 504472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).