8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C11H10FNO3 — CID 134330729

IUPAC8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2cccc(CF)c2N1
InChIInChI=1S/C11H10FNO3/c12-5-6-2-1-3-7-8(11(15)16)4-9(14)13-10(6)7/h1-3,8H,4-5H2,(H,13,14)(H,15,16)
InChIKeyINSICECRSYRZQY-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.67
Rot. Bonds2

About 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 134330729) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID134330729
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2cccc(CF)c2N1
InChIInChI=1S/C11H10FNO3/c12-5-6-2-1-3-7-8(11(15)16)4-9(14)13-10(6)7/h1-3,8H,4-5H2,(H,13,14)(H,15,16)
InChIKeyINSICECRSYRZQY-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 134330729) is 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2cccc(CF)c2N1.
What is the InChIKey of 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is INSICECRSYRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-5-6-2-1-3-7-8(11(15)16)4-9(14)13-10(6)7/h1-3,8H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 134330729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).