8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid

C14H13ClFNO3 — CID 19067103

IUPAC8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid
SMILESCc1c(Cl)c(F)cn2c(=O)c(C(=O)O)cc(C(C)C)c12
InChIInChI=1S/C14H13ClFNO3/c1-6(2)8-4-9(14(19)20)13(18)17-5-10(16)11(15)7(3)12(8)17/h4-6H,1-3H3,(H,19,20)
InChIKeyXLUBWZLFKLVGTG-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.22
Rot. Bonds2

About 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid

8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid (PubChem CID 19067103) has the molecular formula C14H13ClFNO3 and a molecular weight of 297.71 g/mol. Its IUPAC name is 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid
PubChem CID19067103
Molecular FormulaC14H13ClFNO3
Molecular Weight297.71 g/mol
Exact Mass297.06
IUPAC Name8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid
SMILESCc1c(Cl)c(F)cn2c(=O)c(C(=O)O)cc(C(C)C)c12
InChIInChI=1S/C14H13ClFNO3/c1-6(2)8-4-9(14(19)20)13(18)17-5-10(16)11(15)7(3)12(8)17/h4-6H,1-3H3,(H,19,20)
InChIKeyXLUBWZLFKLVGTG-UHFFFAOYSA-N
XLogP3.22
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid?
The IUPAC name of 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid (CID 19067103) is 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid?
The canonical SMILES for 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid is Cc1c(Cl)c(F)cn2c(=O)c(C(=O)O)cc(C(C)C)c12.
What is the InChIKey of 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid?
The InChIKey is XLUBWZLFKLVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3/c1-6(2)8-4-9(14(19)20)13(18)17-5-10(16)11(15)7(3)12(8)17/h4-6H,1-3H3,(H,19,20).
What are the key properties of 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid?
8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid has a molecular weight of 297.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid is sourced from PubChem (CID 19067103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).