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

C17H23N3O2 — CID 67381233

IUPAC8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C17H23N3O2/c1-4-22-14-9-11(10-20(2)3)8-13-15(14)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyAHLCIOSKHNCVFG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds4

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

8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 67381233) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID67381233
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C17H23N3O2/c1-4-22-14-9-11(10-20(2)3)8-13-15(14)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyAHLCIOSKHNCVFG-UHFFFAOYSA-N
XLogP2.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 67381233) is 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is AHLCIOSKHNCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-22-14-9-11(10-20(2)3)8-13-15(14)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 301.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 67381233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).