1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone

C16H18N2O3 — CID 141217855

IUPAC1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone
SMILESCC1(C)COCN1C(=O)COc1ccnc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-16(2)10-20-11-18(16)15(19)9-21-14-7-8-17-13-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3
InChIKeyKJAJRUINIPHSBS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.21
Rot. Bonds3

About 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone

1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone (PubChem CID 141217855) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone
PubChem CID141217855
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone
SMILESCC1(C)COCN1C(=O)COc1ccnc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-16(2)10-20-11-18(16)15(19)9-21-14-7-8-17-13-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3
InChIKeyKJAJRUINIPHSBS-UHFFFAOYSA-N
XLogP2.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone?
The IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone (CID 141217855) is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone.
What is the SMILES notation for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone?
The canonical SMILES for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone is CC1(C)COCN1C(=O)COc1ccnc2ccccc12.
What is the InChIKey of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone?
The InChIKey is KJAJRUINIPHSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2)10-20-11-18(16)15(19)9-21-14-7-8-17-13-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone?
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone has a molecular weight of 286.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone is sourced from PubChem (CID 141217855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).