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

C28H25Cl2N3O — CID 22340272

IUPAC4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H25Cl2N3O/c29-22-9-12-25(26(30)17-22)19-4-6-20(7-5-19)28(34)32-23-11-13-27-21(16-23)8-10-24(31-27)18-33-14-2-1-3-15-33/h4-13,16-17H,1-3,14-15,18H2,(H,32,34)
InChIKeySXUJLXBJOYNEJX-UHFFFAOYSA-N
MW490.43 g/mol
LogP7.45
Rot. Bonds5

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

4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide (PubChem CID 22340272) has the molecular formula C28H25Cl2N3O and a molecular weight of 490.43 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
PubChem CID22340272
Molecular FormulaC28H25Cl2N3O
Molecular Weight490.43 g/mol
Exact Mass489.14
IUPAC Name4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H25Cl2N3O/c29-22-9-12-25(26(30)17-22)19-4-6-20(7-5-19)28(34)32-23-11-13-27-21(16-23)8-10-24(31-27)18-33-14-2-1-3-15-33/h4-13,16-17H,1-3,14-15,18H2,(H,32,34)
InChIKeySXUJLXBJOYNEJX-UHFFFAOYSA-N
XLogP7.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
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-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
CID 139923879
2-(azetidin-1-ylmethyl)-N-[5-(2,3-dihydro-1-benzofuran-6-carbonylamino)-2-fluorophenyl]quinoline-6-carboxamide
CID 122589594
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
CID 169275058
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
CID 20823335
N-[2-chloro-5-(2,3-dihydro-1-benzofuran-6-carbonylamino)phenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide
CID 122589573
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
2,4-dichloro-N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(piperidin-1-ylmethyl)phenyl]benzamide
CID 87915972

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide (CID 22340272) is 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide is O=C(Nc1ccc2nc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
The InChIKey is SXUJLXBJOYNEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O/c29-22-9-12-25(26(30)17-22)19-4-6-20(7-5-19)28(34)32-23-11-13-27-21(16-23)8-10-24(31-27)18-33-14-2-1-3-15-33/h4-13,16-17H,1-3,14-15,18H2,(H,32,34).
What are the key properties of 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide?
4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide has a molecular weight of 490.43 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide is sourced from PubChem (CID 22340272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).