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

C16H21N3O2 — CID 67381107

IUPAC10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CNC)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2/c1-3-21-13-8-10(9-17-2)7-12-14(13)15-11(16(20)19-12)5-4-6-18-15/h7-8,17-18H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyREVQLQVZQWBWBQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds4

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

10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 67381107) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID67381107
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CNC)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2/c1-3-21-13-8-10(9-17-2)7-12-14(13)15-11(16(20)19-12)5-4-6-18-15/h7-8,17-18H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyREVQLQVZQWBWBQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 67381107) is 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCOc1cc(CNC)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is REVQLQVZQWBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-21-13-8-10(9-17-2)7-12-14(13)15-11(16(20)19-12)5-4-6-18-15/h7-8,17-18H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 287.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 67381107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).