1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide

C21H20ClN3O — CID 70458572

IUPAC1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(Cl)cccc23)CC1
InChIInChI=1S/C21H20ClN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26)
InChIKeyYCKHUCJRQTXVGE-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.26
Rot. Bonds3

About 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide

1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 70458572) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
PubChem CID70458572
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(Cl)cccc23)CC1
InChIInChI=1S/C21H20ClN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26)
InChIKeyYCKHUCJRQTXVGE-UHFFFAOYSA-N
XLogP4.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide (CID 70458572) is 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(Cl)cccc23)CC1.
What is the InChIKey of 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is YCKHUCJRQTXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26).
What are the key properties of 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-phenylquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70458572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).