4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide

C28H26ClN3O — CID 22340293

IUPAC4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H26ClN3O/c29-24-11-8-21(9-12-24)20-4-6-22(7-5-20)28(33)31-25-14-15-27-23(18-25)10-13-26(30-27)19-32-16-2-1-3-17-32/h4-15,18H,1-3,16-17,19H2,(H,31,33)
InChIKeyXSXXLRBQMBSESM-UHFFFAOYSA-N
MW455.99 g/mol
LogP6.79
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide

4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide (PubChem CID 22340293) has the molecular formula C28H26ClN3O and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
PubChem CID22340293
Molecular FormulaC28H26ClN3O
Molecular Weight455.99 g/mol
Exact Mass455.18
IUPAC Name4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H26ClN3O/c29-24-11-8-21(9-12-24)20-4-6-22(7-5-20)28(33)31-25-14-15-27-23(18-25)10-13-26(30-27)19-32-16-2-1-3-17-32/h4-15,18H,1-3,16-17,19H2,(H,31,33)
InChIKeyXSXXLRBQMBSESM-UHFFFAOYSA-N
XLogP6.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 56.79
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-[(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
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
CID 20823335
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
CID 139923879
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
2-(azetidin-1-ylmethyl)-N-[5-(2,3-dihydro-1-benzofuran-6-carbonylamino)-2-fluorophenyl]quinoline-6-carboxamide
CID 122589594
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
CID 22340484
5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 75521128
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide (CID 22340293) is 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide is O=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The InChIKey is XSXXLRBQMBSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O/c29-24-11-8-21(9-12-24)20-4-6-22(7-5-20)28(33)31-25-14-15-27-23(18-25)10-13-26(30-27)19-32-16-2-1-3-17-32/h4-15,18H,1-3,16-17,19H2,(H,31,33).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide has a molecular weight of 455.99 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide is sourced from PubChem (CID 22340293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).