N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide

C28H26ClN3O — CID 86272150

IUPACN-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C28H26ClN3O/c29-22-11-12-24-25(18-26(31-27(24)17-22)21-9-5-2-6-10-21)28(33)30-23-13-15-32(16-14-23)19-20-7-3-1-4-8-20/h1-12,17-18,23H,13-16,19H2,(H,30,33)
InChIKeyDRLJHULBHQWFFK-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.95
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide

N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide (PubChem CID 86272150) has the molecular formula C28H26ClN3O and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
PubChem CID86272150
Molecular FormulaC28H26ClN3O
Molecular Weight455.99 g/mol
Exact Mass455.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C28H26ClN3O/c29-22-11-12-24-25(18-26(31-27(24)17-22)21-9-5-2-6-10-21)28(33)30-23-13-15-32(16-14-23)19-20-7-3-1-4-8-20/h1-12,17-18,23H,13-16,19H2,(H,30,33)
InChIKeyDRLJHULBHQWFFK-UHFFFAOYSA-N
XLogP5.95
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 ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
1-benzyl-N-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 122554559
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 46539989
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide (CID 86272150) is N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide?
The InChIKey is DRLJHULBHQWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O/c29-22-11-12-24-25(18-26(31-27(24)17-22)21-9-5-2-6-10-21)28(33)30-23-13-15-32(16-14-23)19-20-7-3-1-4-8-20/h1-12,17-18,23H,13-16,19H2,(H,30,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 86272150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).