7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H21FN4O3 — CID 19102747

IUPAC7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CCN)C3)nc21
InChIInChI=1S/C17H21FN4O3/c1-2-21-9-12(17(24)25)14(23)11-7-13(18)16(20-15(11)21)22-6-4-10(8-22)3-5-19/h7,9-10H,2-6,8,19H2,1H3,(H,24,25)
InChIKeyPNNJHBULCFSOIH-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.43
Rot. Bonds5

About 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19102747) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID19102747
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CCN)C3)nc21
InChIInChI=1S/C17H21FN4O3/c1-2-21-9-12(17(24)25)14(23)11-7-13(18)16(20-15(11)21)22-6-4-10(8-22)3-5-19/h7,9-10H,2-6,8,19H2,1H3,(H,24,25)
InChIKeyPNNJHBULCFSOIH-UHFFFAOYSA-N
XLogP1.43
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 19102747) is 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CCN)C3)nc21.
What is the InChIKey of 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PNNJHBULCFSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-2-21-9-12(17(24)25)14(23)11-7-13(18)16(20-15(11)21)22-6-4-10(8-22)3-5-19/h7,9-10H,2-6,8,19H2,1H3,(H,24,25).
What are the key properties of 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminoethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19102747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).