6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid

C19H14FNO4 — CID 58970790

IUPAC6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c1-11(22)13-4-7-17-15(8-13)18(23)16(19(24)25)10-21(17)9-12-2-5-14(20)6-3-12/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyPUNNVYJLAAHMSN-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.09
Rot. Bonds4

About 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid

6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 58970790) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID58970790
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c1-11(22)13-4-7-17-15(8-13)18(23)16(19(24)25)10-21(17)9-12-2-5-14(20)6-3-12/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyPUNNVYJLAAHMSN-UHFFFAOYSA-N
XLogP3.09
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid (CID 58970790) is 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid is CC(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1.
What is the InChIKey of 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PUNNVYJLAAHMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c1-11(22)13-4-7-17-15(8-13)18(23)16(19(24)25)10-21(17)9-12-2-5-14(20)6-3-12/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 58970790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).