2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid

C23H22Cl2N2O5 — CID 67384054

IUPAC2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid
SMILESCC1(C)CON(Cc2ccccc2Cl)C1=O.O=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H14ClNO2.C11H8ClNO3/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h3-6H,7-8H2,1-2H3;1-5H,6H2,(H,14,15)
InChIKeyOGXHDJHDQUCJQN-UHFFFAOYSA-N
MW477.34 g/mol
LogP4.99
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid (PubChem CID 67384054) has the molecular formula C23H22Cl2N2O5 and a molecular weight of 477.34 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid
PubChem CID67384054
Molecular FormulaC23H22Cl2N2O5
Molecular Weight477.34 g/mol
Exact Mass476.09
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid
SMILESCC1(C)CON(Cc2ccccc2Cl)C1=O.O=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H14ClNO2.C11H8ClNO3/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h3-6H,7-8H2,1-2H3;1-5H,6H2,(H,14,15)
InChIKeyOGXHDJHDQUCJQN-UHFFFAOYSA-N
XLogP4.99
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid (CID 67384054) is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid is CC1(C)CON(Cc2ccccc2Cl)C1=O.O=C(O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid?
The InChIKey is OGXHDJHDQUCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.C11H8ClNO3/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h3-6H,7-8H2,1-2H3;1-5H,6H2,(H,14,15).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid?
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid has a molecular weight of 477.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 67384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).