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

C19H18FN3O3 — CID 18523403

IUPAC4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCC4)c3ncc21
InChIInChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)15-11-5-6-13(20)17(23-7-3-4-8-23)16(11)21-9-14(15)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,26)
InChIKeyRRTUPDUBLRWRCD-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.01
Rot. Bonds3

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

4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (PubChem CID 18523403) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
PubChem CID18523403
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCC4)c3ncc21
InChIInChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)15-11-5-6-13(20)17(23-7-3-4-8-23)16(11)21-9-14(15)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,26)
InChIKeyRRTUPDUBLRWRCD-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

4-ethyl-8-fluoro-1-oxo-7-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523264
4-ethyl-9-fluoro-1-oxo-8-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523431
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
8-(4,4-dimethylpiperidin-1-yl)-7-fluoro-4-methyl-1-oxobenzo[f][1,7]naphthyridine-2-carboxylic acid
CID 18523330
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
7-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 9291696
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The IUPAC name of 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (CID 18523403) is 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCC4)c3ncc21.
What is the InChIKey of 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The InChIKey is RRTUPDUBLRWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-22-10-12(19(25)26)18(24)15-11-5-6-13(20)17(23-7-3-4-8-23)16(11)21-9-14(15)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,26).
What are the key properties of 4-ethyl-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
4-ethyl-8-fluoro-1-oxo-7-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-8-fluoro-1-oxo-7-pyrrolidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 18523403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).