morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone

C23H29N3O3 — CID 131894267

IUPACmorpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)c2c1
InChIInChI=1S/C23H29N3O3/c1-15-6-7-20-19(13-15)21(16(2)17(3)24-20)23(28)26-8-4-5-18(14-26)22(27)25-9-11-29-12-10-25/h6-7,13,18H,4-5,8-12,14H2,1-3H3
InChIKeyFJZXUUNHGGWGKF-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.87
Rot. Bonds2

About morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone

morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 131894267) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
PubChem CID131894267
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemorpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)c2c1
InChIInChI=1S/C23H29N3O3/c1-15-6-7-20-19(13-15)21(16(2)17(3)24-20)23(28)26-8-4-5-18(14-26)22(27)25-9-11-29-12-10-25/h6-7,13,18H,4-5,8-12,14H2,1-3H3
InChIKeyFJZXUUNHGGWGKF-UHFFFAOYSA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone (CID 131894267) is morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone is Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)c2c1.
What is the InChIKey of morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is FJZXUUNHGGWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-6-7-20-19(13-15)21(16(2)17(3)24-20)23(28)26-8-4-5-18(14-26)22(27)25-9-11-29-12-10-25/h6-7,13,18H,4-5,8-12,14H2,1-3H3.
What are the key properties of morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone?
morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 131894267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).