8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C20H27N3O3 — CID 58424849

IUPAC8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN2CC(C)OC(C)C2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H27N3O3/c1-12-9-23(10-13(2)26-12)11-14-7-16-18(17(8-14)25-3)19-15(20(24)22-16)5-4-6-21-19/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,22,24)
InChIKeyIDPFIWDWDZPGKK-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.50
Rot. Bonds3

About 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424849) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424849
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN2CC(C)OC(C)C2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H27N3O3/c1-12-9-23(10-13(2)26-12)11-14-7-16-18(17(8-14)25-3)19-15(20(24)22-16)5-4-6-21-19/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,22,24)
InChIKeyIDPFIWDWDZPGKK-UHFFFAOYSA-N
XLogP2.50
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424849) is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COc1cc(CN2CC(C)OC(C)C2)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is IDPFIWDWDZPGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-9-23(10-13(2)26-12)11-14-7-16-18(17(8-14)25-3)19-15(20(24)22-16)5-4-6-21-19/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,22,24).
What are the key properties of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 357.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).