3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one

C16H19N3O3 — CID 7619317

IUPAC3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc3cccnc3n(C)c2=O)C[C@H](C)O1
InChIInChI=1S/C16H19N3O3/c1-10-8-19(9-11(2)22-10)16(21)13-7-12-5-4-6-17-14(12)18(3)15(13)20/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyUMXVFGIJKCCJQB-PHIMTYICSA-N
MW301.35 g/mol
LogP1.18
Rot. Bonds1

About 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one

3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 7619317) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
PubChem CID7619317
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc3cccnc3n(C)c2=O)C[C@H](C)O1
InChIInChI=1S/C16H19N3O3/c1-10-8-19(9-11(2)22-10)16(21)13-7-12-5-4-6-17-14(12)18(3)15(13)20/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyUMXVFGIJKCCJQB-PHIMTYICSA-N
XLogP1.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934
ethyl 1-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)piperidine-4-carboxylate
CID 7619301
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
3-[2-(difluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 92584371
5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 121025206
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619555

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one (CID 7619317) is 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one is C[C@@H]1CN(C(=O)c2cc3cccnc3n(C)c2=O)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is UMXVFGIJKCCJQB-PHIMTYICSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-19(9-11(2)22-10)16(21)13-7-12-5-4-6-17-14(12)18(3)15(13)20/h4-7,10-11H,8-9H2,1-3H3/t10-,11+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 7619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).