2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide

C29H27F2N3O — CID 139923879

IUPAC2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(F)cc2F)cc1)Nc1ccc2nc(CN3CCCCC3)ccc2c1
InChIInChI=1S/C29H27F2N3O/c30-23-9-12-26(27(31)18-23)21-6-4-20(5-7-21)16-29(35)33-24-11-13-28-22(17-24)8-10-25(32-28)19-34-14-2-1-3-15-34/h4-13,17-18H,1-3,14-16,19H2,(H,33,35)
InChIKeyQBPJJMMLYFLBMY-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.35
Rot. Bonds6

About 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide

2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide (PubChem CID 139923879) has the molecular formula C29H27F2N3O and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
PubChem CID139923879
Molecular FormulaC29H27F2N3O
Molecular Weight471.55 g/mol
Exact Mass471.21
IUPAC Name2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(F)cc2F)cc1)Nc1ccc2nc(CN3CCCCC3)ccc2c1
InChIInChI=1S/C29H27F2N3O/c30-23-9-12-26(27(31)18-23)21-6-4-20(5-7-21)16-29(35)33-24-11-13-28-22(17-24)8-10-25(32-28)19-34-14-2-1-3-15-34/h4-13,17-18H,1-3,14-16,19H2,(H,33,35)
InChIKeyQBPJJMMLYFLBMY-UHFFFAOYSA-N
XLogP6.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340272
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 139923892
2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide
CID 139923875
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8871255
2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
CID 53140564
2-(azetidin-1-ylmethyl)-N-[5-(2,3-dihydro-1-benzofuran-6-carbonylamino)-2-fluorophenyl]quinoline-6-carboxamide
CID 122589594
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 110490393
4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
CID 22340315
4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
CID 22340496
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide?
The IUPAC name of 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide (CID 139923879) is 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide is O=C(Cc1ccc(-c2ccc(F)cc2F)cc1)Nc1ccc2nc(CN3CCCCC3)ccc2c1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide?
The InChIKey is QBPJJMMLYFLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O/c30-23-9-12-26(27(31)18-23)21-6-4-20(5-7-21)16-29(35)33-24-11-13-28-22(17-24)8-10-25(32-28)19-34-14-2-1-3-15-34/h4-13,17-18H,1-3,14-16,19H2,(H,33,35).
What are the key properties of 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide?
2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide has a molecular weight of 471.55 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide is sourced from PubChem (CID 139923879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).