2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid

C18H14FNO3 — CID 3991224

IUPAC2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C18H14FNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyVPCYAVKFIFLNIC-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid

2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid (PubChem CID 3991224) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid
PubChem CID3991224
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C18H14FNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyVPCYAVKFIFLNIC-UHFFFAOYSA-N
XLogP4.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid (CID 3991224) is 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid?
The InChIKey is VPCYAVKFIFLNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid?
2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 3991224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).