ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate

C15H16ClFN2O4 — CID 15739396

IUPACethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1CN(C2CC2)c2nc(Cl)c(F)c(CO)c2C1=O
InChIInChI=1S/C15H16ClFN2O4/c1-2-23-15(22)8-5-19(7-3-4-7)14-10(12(8)21)9(6-20)11(17)13(16)18-14/h7-8,20H,2-6H2,1H3
InChIKeyBCMNNBXUFJYREN-UHFFFAOYSA-N
MW342.75 g/mol
LogP1.71
Rot. Bonds4

About ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate

ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate (PubChem CID 15739396) has the molecular formula C15H16ClFN2O4 and a molecular weight of 342.75 g/mol. Its IUPAC name is ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate
PubChem CID15739396
Molecular FormulaC15H16ClFN2O4
Molecular Weight342.75 g/mol
Exact Mass342.08
IUPAC Nameethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1CN(C2CC2)c2nc(Cl)c(F)c(CO)c2C1=O
InChIInChI=1S/C15H16ClFN2O4/c1-2-23-15(22)8-5-19(7-3-4-7)14-10(12(8)21)9(6-20)11(17)13(16)18-14/h7-8,20H,2-6H2,1H3
InChIKeyBCMNNBXUFJYREN-UHFFFAOYSA-N
XLogP1.71
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate (CID 15739396) is ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate is CCOC(=O)C1CN(C2CC2)c2nc(Cl)c(F)c(CO)c2C1=O.
What is the InChIKey of ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate?
The InChIKey is BCMNNBXUFJYREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O4/c1-2-23-15(22)8-5-19(7-3-4-7)14-10(12(8)21)9(6-20)11(17)13(16)18-14/h7-8,20H,2-6H2,1H3.
What are the key properties of ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate has a molecular weight of 342.75 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15739396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).