3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid

C19H14FNO5 — CID 59696491

IUPAC3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
SMILESCOc1c(C(=O)O)cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C19H14FNO5/c1-26-17-15(19(24)25)8-14(18(22)23)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyGGUNVXQEBRPOGX-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.37
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid

3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid (PubChem CID 59696491) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
PubChem CID59696491
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
SMILESCOc1c(C(=O)O)cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C19H14FNO5/c1-26-17-15(19(24)25)8-14(18(22)23)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyGGUNVXQEBRPOGX-UHFFFAOYSA-N
XLogP3.37
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid (CID 59696491) is 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid is COc1c(C(=O)O)cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid?
The InChIKey is GGUNVXQEBRPOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-26-17-15(19(24)25)8-14(18(22)23)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid?
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid is sourced from PubChem (CID 59696491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).