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

C18H24FN3 — CID 82451155

IUPACN-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(F)cccc13)CCN(CC)C2
InChIInChI=1S/C18H24FN3/c1-3-9-20-11-14-13-6-5-7-16(19)18(13)21-17-8-10-22(4-2)12-15(14)17/h5-7,20H,3-4,8-12H2,1-2H3
InChIKeyMUORQMKFJAMTLL-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.25
Rot. Bonds5

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

N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (PubChem CID 82451155) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
PubChem CID82451155
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC NameN-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(F)cccc13)CCN(CC)C2
InChIInChI=1S/C18H24FN3/c1-3-9-20-11-14-13-6-5-7-16(19)18(13)21-17-8-10-22(4-2)12-15(14)17/h5-7,20H,3-4,8-12H2,1-2H3
InChIKeyMUORQMKFJAMTLL-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (CID 82451155) is N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is CCCNCc1c2c(nc3c(F)cccc13)CCN(CC)C2.
What is the InChIKey of N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The InChIKey is MUORQMKFJAMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-3-9-20-11-14-13-6-5-7-16(19)18(13)21-17-8-10-22(4-2)12-15(14)17/h5-7,20H,3-4,8-12H2,1-2H3.
What are the key properties of N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is sourced from PubChem (CID 82451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).