(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one

C17H25N3O4 — CID 118036291

IUPAC(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one
SMILESCOC(OC)c1nc2c(cc1CN1C(=O)COC[C@@H]1C)CCCN2
InChIInChI=1S/C17H25N3O4/c1-11-9-24-10-14(21)20(11)8-13-7-12-5-4-6-18-16(12)19-15(13)17(22-2)23-3/h7,11,17H,4-6,8-10H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyTXAZPWALNLAUCS-NSHDSACASA-N
MW335.40 g/mol
LogP1.48
Rot. Bonds5

About (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one

(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one (PubChem CID 118036291) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one
PubChem CID118036291
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one
SMILESCOC(OC)c1nc2c(cc1CN1C(=O)COC[C@@H]1C)CCCN2
InChIInChI=1S/C17H25N3O4/c1-11-9-24-10-14(21)20(11)8-13-7-12-5-4-6-18-16(12)19-15(13)17(22-2)23-3/h7,11,17H,4-6,8-10H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyTXAZPWALNLAUCS-NSHDSACASA-N
XLogP1.48
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one?
The IUPAC name of (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one (CID 118036291) is (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one.
What is the SMILES notation for (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one?
The canonical SMILES for (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one is COC(OC)c1nc2c(cc1CN1C(=O)COC[C@@H]1C)CCCN2.
What is the InChIKey of (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one?
The InChIKey is TXAZPWALNLAUCS-NSHDSACASA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-9-24-10-14(21)20(11)8-13-7-12-5-4-6-18-16(12)19-15(13)17(22-2)23-3/h7,11,17H,4-6,8-10H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one?
(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one has a molecular weight of 335.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 118036291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).