cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate

C16H15F2NO4 — CID 68801881

IUPACcyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OC)c21
InChIInChI=1S/C16H15F2NO4/c1-3-19-7-10(16(21)23-8-4-5-8)14(20)9-6-11(17)12(18)15(22-2)13(9)19/h6-8H,3-5H2,1-2H3
InChIKeyVWVYMUFGVDPQOY-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.63
Rot. Bonds4

About cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate

cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 68801881) has the molecular formula C16H15F2NO4 and a molecular weight of 323.30 g/mol. Its IUPAC name is cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID68801881
Molecular FormulaC16H15F2NO4
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Namecyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OC)c21
InChIInChI=1S/C16H15F2NO4/c1-3-19-7-10(16(21)23-8-4-5-8)14(20)9-6-11(17)12(18)15(22-2)13(9)19/h6-8H,3-5H2,1-2H3
InChIKeyVWVYMUFGVDPQOY-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate
CID 67042838
cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate
CID 68821279
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
CID 56873052
ethyl 1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 167438441
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
ethyl 1-ethyl-6,8-difluoro-7-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-4-oxoquinoline-3-carboxylate
CID 102156251
difluoroboranyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 12993653

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate (CID 68801881) is cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate is CCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OC)c21.
What is the InChIKey of cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is VWVYMUFGVDPQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4/c1-3-19-7-10(16(21)23-8-4-5-8)14(20)9-6-11(17)12(18)15(22-2)13(9)19/h6-8H,3-5H2,1-2H3.
What are the key properties of cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 68801881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).