7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

C14H11BrFNO3 — CID 118864621

IUPAC7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1c(Br)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
InChIInChI=1S/C14H11BrFNO3/c1-6-11(15)10(16)5-7-4-9(14(19)20)13(18)17(12(6)7)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,19,20)
InChIKeyONXHXIWCDVTBJX-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.24
Rot. Bonds2

About 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 118864621) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID118864621
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1c(Br)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
InChIInChI=1S/C14H11BrFNO3/c1-6-11(15)10(16)5-7-4-9(14(19)20)13(18)17(12(6)7)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,19,20)
InChIKeyONXHXIWCDVTBJX-UHFFFAOYSA-N
XLogP3.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (CID 118864621) is 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is Cc1c(Br)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12.
What is the InChIKey of 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is ONXHXIWCDVTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-6-11(15)10(16)5-7-4-9(14(19)20)13(18)17(12(6)7)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,19,20).
What are the key properties of 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 340.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118864621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).