4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid

C19H18FN3O3 — CID 18523431

IUPAC4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3cc(F)c(N4CCCC4)cc3ncc21
InChIInChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)17-11-7-13(20)15(23-5-3-4-6-23)8-14(11)21-9-16(17)22/h7-10H,2-6H2,1H3,(H,25,26)
InChIKeyLNHSACDEBUIEQA-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.01
Rot. Bonds3

About 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid

4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (PubChem CID 18523431) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
PubChem CID18523431
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3cc(F)c(N4CCCC4)cc3ncc21
InChIInChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)17-11-7-13(20)15(23-5-3-4-6-23)8-14(11)21-9-16(17)22/h7-10H,2-6H2,1H3,(H,25,26)
InChIKeyLNHSACDEBUIEQA-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(3,3-dimethylpiperidin-1-yl)-4-ethyl-9-fluoro-1-oxobenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523358
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523403
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
7-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 9291696
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881
8-fluoro-9-(3-hydroxypiperidin-1-yl)-4-methyl-1-oxobenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523380
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
8-fluoro-9-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1-oxobenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523346
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930
CID 88745389
CID 88745389

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The IUPAC name of 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (CID 18523431) is 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c3cc(F)c(N4CCCC4)cc3ncc21.
What is the InChIKey of 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The InChIKey is LNHSACDEBUIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)17-11-7-13(20)15(23-5-3-4-6-23)8-14(11)21-9-16(17)22/h7-10H,2-6H2,1H3,(H,25,26).
What are the key properties of 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 18523431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).