1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

C13H14FNO3 — CID 144701720

IUPAC1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC(=O)N1CC(C)Cc2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C13H14FNO3/c1-7-3-9-4-10(13(17)18)11(14)5-12(9)15(6-7)8(2)16/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyQPDXQWSQWJFQSP-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.07
Rot. Bonds1

About 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 144701720) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID144701720
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC(=O)N1CC(C)Cc2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C13H14FNO3/c1-7-3-9-4-10(13(17)18)11(14)5-12(9)15(6-7)8(2)16/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyQPDXQWSQWJFQSP-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 144701720) is 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is CC(=O)N1CC(C)Cc2cc(C(=O)O)c(F)cc21.
What is the InChIKey of 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is QPDXQWSQWJFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-7-3-9-4-10(13(17)18)11(14)5-12(9)15(6-7)8(2)16/h4-5,7H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 144701720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).