6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

C22H26N4O2 — CID 53002705

IUPAC6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-2-16-3-4-20-19(13-16)21(18(14-23)15-24-20)25-7-5-17(6-8-25)22(27)26-9-11-28-12-10-26/h3-4,13,15,17H,2,5-12H2,1H3
InChIKeyZKOHVDKKALZENT-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.74
Rot. Bonds3

About 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002705) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002705
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-2-16-3-4-20-19(13-16)21(18(14-23)15-24-20)25-7-5-17(6-8-25)22(27)26-9-11-28-12-10-26/h3-4,13,15,17H,2,5-12H2,1H3
InChIKeyZKOHVDKKALZENT-UHFFFAOYSA-N
XLogP2.74
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002705) is 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is CCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is ZKOHVDKKALZENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-16-3-4-20-19(13-16)21(18(14-23)15-24-20)25-7-5-17(6-8-25)22(27)26-9-11-28-12-10-26/h3-4,13,15,17H,2,5-12H2,1H3.
What are the key properties of 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).