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

C21H24N4O2 — CID 53002627

IUPAC6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H24N4O2/c1-15-2-3-19-18(12-15)20(17(13-22)14-23-19)24-6-4-16(5-7-24)21(26)25-8-10-27-11-9-25/h2-3,12,14,16H,4-11H2,1H3
InChIKeySSWOTGYKBZOHKG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.49
Rot. Bonds2

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

6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002627) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002627
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H24N4O2/c1-15-2-3-19-18(12-15)20(17(13-22)14-23-19)24-6-4-16(5-7-24)21(26)25-8-10-27-11-9-25/h2-3,12,14,16H,4-11H2,1H3
InChIKeySSWOTGYKBZOHKG-UHFFFAOYSA-N
XLogP2.49
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002627) is 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is Cc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is SSWOTGYKBZOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-2-3-19-18(12-15)20(17(13-22)14-23-19)24-6-4-16(5-7-24)21(26)25-8-10-27-11-9-25/h2-3,12,14,16H,4-11H2,1H3.
What are the key properties of 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).