2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide

C21H21FN3O+ — CID 2096456

IUPAC2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide
SMILESCC[NH+]1CCc2nc3ccccc3c(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)/p+1
InChIKeyXOJLUIJWQDLGFT-UHFFFAOYSA-O
MW350.42 g/mol
LogP2.59
Rot. Bonds3

About 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide

2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide (PubChem CID 2096456) has the molecular formula C21H21FN3O+ and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide
PubChem CID2096456
Molecular FormulaC21H21FN3O+
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide
SMILESCC[NH+]1CCc2nc3ccccc3c(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)/p+1
InChIKeyXOJLUIJWQDLGFT-UHFFFAOYSA-O
XLogP2.59
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide with MolForge

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 4079000
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23972226
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide (CID 2096456) is 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide is CC[NH+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide?
The InChIKey is XOJLUIJWQDLGFT-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide?
2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxamide is sourced from PubChem (CID 2096456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).