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

C25H25Cl2N3O3 — CID 10480554

IUPAC3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C25H25Cl2N3O3/c1-32-18-3-5-23-20(13-18)19(6-9-28-23)24-15-30(25(31)33-24)17-7-10-29(11-8-17)14-16-2-4-21(26)22(27)12-16/h2-6,9,12-13,17,24H,7-8,10-11,14-15H2,1H3
InChIKeyUPBONKUQKKQLND-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.71
Rot. Bonds5

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

3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 10480554) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
PubChem CID10480554
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC Name3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C25H25Cl2N3O3/c1-32-18-3-5-23-20(13-18)19(6-9-28-23)24-15-30(25(31)33-24)17-7-10-29(11-8-17)14-16-2-4-21(26)22(27)12-16/h2-6,9,12-13,17,24H,7-8,10-11,14-15H2,1H3
InChIKeyUPBONKUQKKQLND-UHFFFAOYSA-N
XLogP5.71
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (CID 10480554) is 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1.
What is the InChIKey of 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is UPBONKUQKKQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c1-32-18-3-5-23-20(13-18)19(6-9-28-23)24-15-30(25(31)33-24)17-7-10-29(11-8-17)14-16-2-4-21(26)22(27)12-16/h2-6,9,12-13,17,24H,7-8,10-11,14-15H2,1H3.
What are the key properties of 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 486.40 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10480554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).