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

C27H31N3O3 — CID 10433657

IUPAC5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(CCCc5ccccc5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C27H31N3O3/c1-32-22-9-10-25-24(18-22)23(11-14-28-25)26-19-30(27(31)33-26)21-12-16-29(17-13-21)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,14,18,21,26H,5,8,12-13,15-17,19H2,1H3
InChIKeyIIODDFVDNAPMCZ-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.83
Rot. Bonds7

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

5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 10433657) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID10433657
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(CCCc5ccccc5)CC4)C(=O)O3)c2c1
InChIInChI=1S/C27H31N3O3/c1-32-22-9-10-25-24(18-22)23(11-14-28-25)26-19-30(27(31)33-26)21-12-16-29(17-13-21)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,14,18,21,26H,5,8,12-13,15-17,19H2,1H3
InChIKeyIIODDFVDNAPMCZ-UHFFFAOYSA-N
XLogP4.83
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 10433657) is 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc2nccc(C3CN(C4CCN(CCCc5ccccc5)CC4)C(=O)O3)c2c1.
What is the InChIKey of 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IIODDFVDNAPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-22-9-10-25-24(18-22)23(11-14-28-25)26-19-30(27(31)33-26)21-12-16-29(17-13-21)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,14,18,21,26H,5,8,12-13,15-17,19H2,1H3.
What are the key properties of 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 445.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10433657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).