ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate

C17H17BrFNO3 — CID 118864544

IUPACethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)c(CC)c2n(C2CC2)c1=O
InChIInChI=1S/C17H17BrFNO3/c1-3-11-14(18)13(19)8-9-7-12(17(22)23-4-2)16(21)20(15(9)11)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOZPQMIPZPOZZEX-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.98
Rot. Bonds4

About ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate

ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate (PubChem CID 118864544) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate
PubChem CID118864544
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Nameethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)c(CC)c2n(C2CC2)c1=O
InChIInChI=1S/C17H17BrFNO3/c1-3-11-14(18)13(19)8-9-7-12(17(22)23-4-2)16(21)20(15(9)11)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOZPQMIPZPOZZEX-UHFFFAOYSA-N
XLogP3.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.98
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-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate (CID 118864544) is ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)c(Br)c(CC)c2n(C2CC2)c1=O.
What is the InChIKey of ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate?
The InChIKey is OZPQMIPZPOZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-3-11-14(18)13(19)8-9-7-12(17(22)23-4-2)16(21)20(15(9)11)10-5-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate?
ethyl 7-bromo-1-cyclopropyl-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate has a molecular weight of 382.23 g/mol, XLogP of 3.98, 4 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-8-ethyl-6-fluoro-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118864544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).