3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one

C16H21N3O2 — CID 59150277

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one
SMILESCNc1ccc2cc(N3C[C@@H](C)O[C@@H](C)C3)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)15-6-12-4-5-13(17-3)7-14(12)18-16(15)20/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,20)/t10-,11+
InChIKeyHYMZHQYPDIIIHF-PHIMTYICSA-N
MW287.36 g/mol
LogP2.18
Rot. Bonds2

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one (PubChem CID 59150277) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one
PubChem CID59150277
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one
SMILESCNc1ccc2cc(N3C[C@@H](C)O[C@@H](C)C3)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)15-6-12-4-5-13(17-3)7-14(12)18-16(15)20/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,20)/t10-,11+
InChIKeyHYMZHQYPDIIIHF-PHIMTYICSA-N
XLogP2.18
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one (CID 59150277) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one is CNc1ccc2cc(N3C[C@@H](C)O[C@@H](C)C3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one?
The InChIKey is HYMZHQYPDIIIHF-PHIMTYICSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-8-19(9-11(2)21-10)15-6-12-4-5-13(17-3)7-14(12)18-16(15)20/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,20)/t10-,11+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-(methylamino)-1H-quinolin-2-one is sourced from PubChem (CID 59150277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).