ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate

C15H13BrFNO3 — CID 118864552

IUPACethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)cc2n(C2CC2)c1=O
InChIInChI=1S/C15H13BrFNO3/c1-2-21-15(20)10-5-8-6-12(17)11(16)7-13(8)18(14(10)19)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyZLBRHBZNYPRKRV-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.41
Rot. Bonds3

About ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate

ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate (PubChem CID 118864552) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate
PubChem CID118864552
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Nameethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)cc2n(C2CC2)c1=O
InChIInChI=1S/C15H13BrFNO3/c1-2-21-15(20)10-5-8-6-12(17)11(16)7-13(8)18(14(10)19)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyZLBRHBZNYPRKRV-UHFFFAOYSA-N
XLogP3.41
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate (CID 118864552) is ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)c(Br)cc2n(C2CC2)c1=O.
What is the InChIKey of ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The InChIKey is ZLBRHBZNYPRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-2-21-15(20)10-5-8-6-12(17)11(16)7-13(8)18(14(10)19)9-3-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate?
ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate has a molecular weight of 354.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-1-cyclopropyl-6-fluoro-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118864552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).