2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid

C15H17FN2O3 — CID 175105488

IUPAC2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(F)ccc2c1c(=O)c(C(=O)O)c(N)n2CC(C)C
InChIInChI=1S/C15H17FN2O3/c1-7(2)6-18-10-5-4-9(16)8(3)11(10)13(19)12(14(18)17)15(20)21/h4-5,7H,6,17H2,1-3H3,(H,20,21)
InChIKeyPJVUOZMOSMZONE-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid

2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 175105488) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID175105488
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(F)ccc2c1c(=O)c(C(=O)O)c(N)n2CC(C)C
InChIInChI=1S/C15H17FN2O3/c1-7(2)6-18-10-5-4-9(16)8(3)11(10)13(19)12(14(18)17)15(20)21/h4-5,7H,6,17H2,1-3H3,(H,20,21)
InChIKeyPJVUOZMOSMZONE-UHFFFAOYSA-N
XLogP2.39
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid (CID 175105488) is 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid is Cc1c(F)ccc2c1c(=O)c(C(=O)O)c(N)n2CC(C)C.
What is the InChIKey of 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PJVUOZMOSMZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-7(2)6-18-10-5-4-9(16)8(3)11(10)13(19)12(14(18)17)15(20)21/h4-5,7H,6,17H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid?
2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-5-methyl-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175105488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).