2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C21H20FN3O — CID 2096457

IUPAC2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1
InChIInChI=1S/C21H20FN3O/c1-2-25-12-11-19-17(13-25)20(16-5-3-4-6-18(16)24-19)21(26)23-15-9-7-14(22)8-10-15/h3-10H,2,11-13H2,1H3,(H,23,26)
InChIKeyXOJLUIJWQDLGFT-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.00
Rot. Bonds3

About 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 2096457) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID2096457
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1
InChIInChI=1S/C21H20FN3O/c1-2-25-12-11-19-17(13-25)20(16-5-3-4-6-18(16)24-19)21(26)23-15-9-7-14(22)8-10-15/h3-10H,2,11-13H2,1H3,(H,23,26)
InChIKeyXOJLUIJWQDLGFT-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 2096457) is 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is XOJLUIJWQDLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-25-12-11-19-17(13-25)20(16-5-3-4-6-18(16)24-19)21(26)23-15-9-7-14(22)8-10-15/h3-10H,2,11-13H2,1H3,(H,23,26).
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 2096457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).