8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid

C24H18FNO4 — CID 24967424

IUPAC8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cc1
InChIInChI=1S/C24H18FNO4/c1-30-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-26-14-20(24(28)29)23(27)19-3-2-4-21(25)22(19)26/h2-12,14H,13H2,1H3,(H,28,29)
InChIKeyDVCKSMVQENAUFT-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.56
Rot. Bonds5

About 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid

8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 24967424) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID24967424
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cc1
InChIInChI=1S/C24H18FNO4/c1-30-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-26-14-20(24(28)29)23(27)19-3-2-4-21(25)22(19)26/h2-12,14H,13H2,1H3,(H,28,29)
InChIKeyDVCKSMVQENAUFT-UHFFFAOYSA-N
XLogP4.56
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid (CID 24967424) is 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid is COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cc1.
What is the InChIKey of 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DVCKSMVQENAUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4/c1-30-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-26-14-20(24(28)29)23(27)19-3-2-4-21(25)22(19)26/h2-12,14H,13H2,1H3,(H,28,29).
What are the key properties of 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid?
8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 403.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 24967424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).