6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C17H22N2O4 — CID 94014711

IUPAC6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CCO1
InChIInChI=1S/C17H22N2O4/c1-2-13-10-19(7-8-22-13)17(21)11-23-14-4-5-15-12(9-14)3-6-16(20)18-15/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyZTTSYNJXVUSAEH-CYBMUJFWSA-N
MW318.37 g/mol
LogP1.59
Rot. Bonds4

About 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94014711) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID94014711
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CCO1
InChIInChI=1S/C17H22N2O4/c1-2-13-10-19(7-8-22-13)17(21)11-23-14-4-5-15-12(9-14)3-6-16(20)18-15/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyZTTSYNJXVUSAEH-CYBMUJFWSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 94014711) is 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is CC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CCO1.
What is the InChIKey of 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZTTSYNJXVUSAEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-13-10-19(7-8-22-13)17(21)11-23-14-4-5-15-12(9-14)3-6-16(20)18-15/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94014711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).