1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine

C16H20FN3 — CID 82451152

IUPAC1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
SMILESCCN1CCc2nc3c(F)cccc3c(CNC)c2C1
InChIInChI=1S/C16H20FN3/c1-3-20-8-7-15-13(10-20)12(9-18-2)11-5-4-6-14(17)16(11)19-15/h4-6,18H,3,7-10H2,1-2H3
InChIKeyOCTAKXNODFINGI-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine

1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine (PubChem CID 82451152) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
PubChem CID82451152
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
SMILESCCN1CCc2nc3c(F)cccc3c(CNC)c2C1
InChIInChI=1S/C16H20FN3/c1-3-20-8-7-15-13(10-20)12(9-18-2)11-5-4-6-14(17)16(11)19-15/h4-6,18H,3,7-10H2,1-2H3
InChIKeyOCTAKXNODFINGI-UHFFFAOYSA-N
XLogP2.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine (CID 82451152) is 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine is CCN1CCc2nc3c(F)cccc3c(CNC)c2C1.
What is the InChIKey of 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The InChIKey is OCTAKXNODFINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-20-8-7-15-13(10-20)12(9-18-2)11-5-4-6-14(17)16(11)19-15/h4-6,18H,3,7-10H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine has a molecular weight of 273.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine is sourced from PubChem (CID 82451152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).