propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate

C16H15F2NO3 — CID 155405950

IUPACpropyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESCCCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H15F2NO3/c1-2-5-22-16(21)11-8-19(9-3-4-9)14-7-13(18)12(17)6-10(14)15(11)20/h6-9H,2-5H2,1H3
InChIKeyUSFZOFRFDJXSHD-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.18
Rot. Bonds4

About propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate

propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (PubChem CID 155405950) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
PubChem CID155405950
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Namepropyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESCCCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H15F2NO3/c1-2-5-22-16(21)11-8-19(9-3-4-9)14-7-13(18)12(17)6-10(14)15(11)20/h6-9H,2-5H2,1H3
InChIKeyUSFZOFRFDJXSHD-UHFFFAOYSA-N
XLogP3.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 1-cyclopropyl-6,7-difluoro-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

2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
propyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate;2,2,2-trifluoroacetic acid
CID 71600446
4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 146717195
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
CID 164817321
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 163613690
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
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 1-cyclopropyl-6-fluoro-7-(4-hexadecylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 118588725
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322

Frequently Asked Questions

What is the IUPAC name of propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (CID 155405950) is propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is CCCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is USFZOFRFDJXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-2-5-22-16(21)11-8-19(9-3-4-9)14-7-13(18)12(17)6-10(14)15(11)20/h6-9H,2-5H2,1H3.
What are the key properties of propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 307.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 155405950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).