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

C19H21FN4O4 — CID 123727501

IUPAC7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCON=C1CC(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
InChIInChI=1S/C19H21FN4O4/c1-28-23-15-5-9(4-10(15)7-21)16-14(20)6-12-17(25)13(19(26)27)8-24(11-2-3-11)18(12)22-16/h6,8-11H,2-5,7,21H2,1H3,(H,26,27)
InChIKeyPGSMFDFTGZSSCP-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.02
Rot. Bonds5

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

7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 123727501) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID123727501
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCON=C1CC(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
InChIInChI=1S/C19H21FN4O4/c1-28-23-15-5-9(4-10(15)7-21)16-14(20)6-12-17(25)13(19(26)27)8-24(11-2-3-11)18(12)22-16/h6,8-11H,2-5,7,21H2,1H3,(H,26,27)
InChIKeyPGSMFDFTGZSSCP-UHFFFAOYSA-N
XLogP2.02
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4Z)-3-(aminomethyl)-4-ethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11795435
7-[3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54353867
1-cyclopropyl-7-[(4E)-3-[(cyclopropylamino)methyl]-4-methoxyiminopyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 127035784
7-[(4E)-3-(aminomethyl)-4-methoxyiminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54583688
7-[(3S,4Z)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45263982
7-[(3R,4E)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methane
CID 172981152
7-[3-(aminomethyl)-4-methoxyimino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 75242853
methylsulfonyl 7-[3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139836856
methylsulfonyl 7-[(4E)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 87484908
7-[(3R,4E)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
CID 87216746
7-[(4Z)-3-(aminomethyl)-4-[(3,4,5-trimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70694830
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520

Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 123727501) is 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CON=C1CC(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.
What is the InChIKey of 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PGSMFDFTGZSSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-28-23-15-5-9(4-10(15)7-21)16-14(20)6-12-17(25)13(19(26)27)8-24(11-2-3-11)18(12)22-16/h6,8-11H,2-5,7,21H2,1H3,(H,26,27).
What are the key properties of 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-methoxyiminocyclopentyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 123727501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).