3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C21H28ClN3O2 — CID 42291381

IUPAC3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-27-13-10-23-21(26)7-2-16-8-11-25(12-9-16)15-19-5-3-17-14-18(22)4-6-20(17)24-19/h3-6,14,16H,2,7-13,15H2,1H3,(H,23,26)
InChIKeyMIFCADZCCUZYNB-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.64
Rot. Bonds8

About 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42291381) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42291381
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-27-13-10-23-21(26)7-2-16-8-11-25(12-9-16)15-19-5-3-17-14-18(22)4-6-20(17)24-19/h3-6,14,16H,2,7-13,15H2,1H3,(H,23,26)
InChIKeyMIFCADZCCUZYNB-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 42291381) is 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is MIFCADZCCUZYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-27-13-10-23-21(26)7-2-16-8-11-25(12-9-16)15-19-5-3-17-14-18(22)4-6-20(17)24-19/h3-6,14,16H,2,7-13,15H2,1H3,(H,23,26).
What are the key properties of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 389.93 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).