4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid

C16H14FNO3 — CID 162179032

IUPAC4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)-c1[nH]c(=O)c(C(=O)O)c(F)c1C(C)C2
InChIInChI=1S/C16H14FNO3/c1-7-3-4-9-6-8(2)11-13(17)12(16(20)21)15(19)18-14(11)10(9)5-7/h3-5,8H,6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOZHGFXHMWTYWOJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.85
Rot. Bonds1

About 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid

4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid (PubChem CID 162179032) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid
PubChem CID162179032
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)-c1[nH]c(=O)c(C(=O)O)c(F)c1C(C)C2
InChIInChI=1S/C16H14FNO3/c1-7-3-4-9-6-8(2)11-13(17)12(16(20)21)15(19)18-14(11)10(9)5-7/h3-5,8H,6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOZHGFXHMWTYWOJ-UHFFFAOYSA-N
XLogP2.85
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid?
The IUPAC name of 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid (CID 162179032) is 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid?
The canonical SMILES for 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid is Cc1ccc2c(c1)-c1[nH]c(=O)c(C(=O)O)c(F)c1C(C)C2.
What is the InChIKey of 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid?
The InChIKey is OZHGFXHMWTYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-7-3-4-9-6-8(2)11-13(17)12(16(20)21)15(19)18-14(11)10(9)5-7/h3-5,8H,6H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid?
4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,9-dimethyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylic acid is sourced from PubChem (CID 162179032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).