ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C20H21FN4O3 — CID 10022894

IUPACethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(C3CCC(N=[N+]=[N-])C3)c(F)cc2c1=O
InChIInChI=1S/C20H21FN4O3/c1-2-28-20(27)16-10-25(13-5-6-13)18-9-14(17(21)8-15(18)19(16)26)11-3-4-12(7-11)23-24-22/h8-13H,2-7H2,1H3
InChIKeyKUYJVTYTWXZAMO-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.60
Rot. Bonds5

About ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 10022894) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID10022894
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Nameethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(C3CCC(N=[N+]=[N-])C3)c(F)cc2c1=O
InChIInChI=1S/C20H21FN4O3/c1-2-28-20(27)16-10-25(13-5-6-13)18-9-14(17(21)8-15(18)19(16)26)11-3-4-12(7-11)23-24-22/h8-13H,2-7H2,1H3
InChIKeyKUYJVTYTWXZAMO-UHFFFAOYSA-N
XLogP4.60
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-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

Related Compounds

ethyl 7-[2-(azidomethyl)cyclopropyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10044640
ethyl 7-[1-(azidomethyl)cyclopropyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10044641
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67916341
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
ethyl 7-(1-cyano-2-ethoxy-2-oxoethyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14422910
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
ethyl 1-cyclopropyl-6-fluoro-7-(4-hexadecylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 118588725

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 10022894) is ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2cc(C3CCC(N=[N+]=[N-])C3)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is KUYJVTYTWXZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-2-28-20(27)16-10-25(13-5-6-13)18-9-14(17(21)8-15(18)19(16)26)11-3-4-12(7-11)23-24-22/h8-13H,2-7H2,1H3.
What are the key properties of ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 10022894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).