7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H24FN5O4 — CID 10528158

IUPAC7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OCc1ccccc1
InChIInChI=1S/C24H24FN5O4/c25-19-8-17-21(31)18(24(32)33)11-30(16-6-7-16)22(17)27-23(19)29-10-15(9-26)20(12-29)28-34-13-14-4-2-1-3-5-14/h1-5,8,11,15-16H,6-7,9-10,12-13,26H2,(H,32,33)/b28-20+
InChIKeyLRNNKSYRIPNAHL-VFCFBJKWSA-N
MW465.49 g/mol
LogP2.54
Rot. Bonds7

About 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10528158) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID10528158
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OCc1ccccc1
InChIInChI=1S/C24H24FN5O4/c25-19-8-17-21(31)18(24(32)33)11-30(16-6-7-16)22(17)27-23(19)29-10-15(9-26)20(12-29)28-34-13-14-4-2-1-3-5-14/h1-5,8,11,15-16H,6-7,9-10,12-13,26H2,(H,32,33)/b28-20+
InChIKeyLRNNKSYRIPNAHL-VFCFBJKWSA-N
XLogP2.54
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 9571107
1,8-Naphthyridine-3-carboxylic acid, 7-(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CID 62959
Tosufloxacin
CID 5517
Gemifloxacin Mesylate
CID 9588170
Alatrofloxacin
CID 3086677
Trovafloxacin mesylate
CID 62960
Zabofloxacin
CID 54556623
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 488361
Bmy 40062
CID 163995
1-Cyclopropyl-6-fluoro-7-[(8Z)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10388396
Trevafloxavin mesylate
CID 665294
7-[3-(Aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 497182

Frequently Asked Questions

What is the IUPAC name of 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 10528158) is 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OCc1ccccc1.
What is the InChIKey of 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LRNNKSYRIPNAHL-VFCFBJKWSA-N. The full InChI is InChI=1S/C24H24FN5O4/c25-19-8-17-21(31)18(24(32)33)11-30(16-6-7-16)22(17)27-23(19)29-10-15(9-26)20(12-29)28-34-13-14-4-2-1-3-5-14/h1-5,8,11,15-16H,6-7,9-10,12-13,26H2,(H,32,33)/b28-20+.
What are the key properties of 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 465.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10528158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).