3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one

C25H26ClN3O3 — CID 10343818

IUPAC3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C25H26ClN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3
InChIKeyPYKMCNKQAJEMGI-UHFFFAOYSA-N
MW451.95 g/mol
LogP5.05
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 10343818) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
PubChem CID10343818
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C25H26ClN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3
InChIKeyPYKMCNKQAJEMGI-UHFFFAOYSA-N
XLogP5.05
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (CID 10343818) is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is PYKMCNKQAJEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 451.95 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10343818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).