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

C16H15BrFNO3 — CID 118864685

IUPACethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)c(C)c2n(C2CC2)c1=O
InChIInChI=1S/C16H15BrFNO3/c1-3-22-16(21)11-6-9-7-12(18)13(17)8(2)14(9)19(15(11)20)10-4-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyDZDBKHLAAXBHFG-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.72
Rot. Bonds3

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

ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 118864685) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate
PubChem CID118864685
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Nameethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(Br)c(C)c2n(C2CC2)c1=O
InChIInChI=1S/C16H15BrFNO3/c1-3-22-16(21)11-6-9-7-12(18)13(17)8(2)14(9)19(15(11)20)10-4-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyDZDBKHLAAXBHFG-UHFFFAOYSA-N
XLogP3.72
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.72
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-8-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate (CID 118864685) is ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)c(Br)c(C)c2n(C2CC2)c1=O.
What is the InChIKey of ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is DZDBKHLAAXBHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-3-22-16(21)11-6-9-7-12(18)13(17)8(2)14(9)19(15(11)20)10-4-5-10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate?
ethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 368.20 g/mol, XLogP of 3.72, 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-8-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118864685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).