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

C24H25ClFN3O — CID 45219710

IUPAC3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCC1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)Nc1ccccc1F
InChIInChI=1S/C24H25ClFN3O/c25-19-9-11-22-18(14-19)8-10-20(27-22)16-29-13-3-4-17(15-29)7-12-24(30)28-23-6-2-1-5-21(23)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,28,30)
InChIKeyVMUGOVREGPJYPA-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.66
Rot. Bonds6

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

3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 45219710) has the molecular formula C24H25ClFN3O and a molecular weight of 425.94 g/mol. Its IUPAC name is 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
PubChem CID45219710
Molecular FormulaC24H25ClFN3O
Molecular Weight425.94 g/mol
Exact Mass425.17
IUPAC Name3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCC1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)Nc1ccccc1F
InChIInChI=1S/C24H25ClFN3O/c25-19-9-11-22-18(14-19)8-10-20(27-22)16-29-13-3-4-17(15-29)7-12-24(30)28-23-6-2-1-5-21(23)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,28,30)
InChIKeyVMUGOVREGPJYPA-UHFFFAOYSA-N
XLogP5.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 45219710) is 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is O=C(CCC1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)Nc1ccccc1F.
What is the InChIKey of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is VMUGOVREGPJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O/c25-19-9-11-22-18(14-19)8-10-20(27-22)16-29-13-3-4-17(15-29)7-12-24(30)28-23-6-2-1-5-21(23)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,28,30).
What are the key properties of 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 425.94 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 45219710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).