7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C22H22FN3O3 — CID 15636891

IUPAC7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCN(Cc4ccccc4)C3)nc21
InChIInChI=1S/C22H22FN3O3/c1-2-26-13-17(22(28)29)20(27)16-10-18(23)19(24-21(16)26)15-8-9-25(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,28,29)
InChIKeySGLCTEYRVGANGW-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.24
Rot. Bonds5

About 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 15636891) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID15636891
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCN(Cc4ccccc4)C3)nc21
InChIInChI=1S/C22H22FN3O3/c1-2-26-13-17(22(28)29)20(27)16-10-18(23)19(24-21(16)26)15-8-9-25(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,28,29)
InChIKeySGLCTEYRVGANGW-UHFFFAOYSA-N
XLogP3.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 15636891) is 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCN(Cc4ccccc4)C3)nc21.
What is the InChIKey of 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SGLCTEYRVGANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-2-26-13-17(22(28)29)20(27)16-10-18(23)19(24-21(16)26)15-8-9-25(12-15)11-14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,28,29).
What are the key properties of 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 395.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrrolidin-3-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15636891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).