2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid

C24H18FNO3 — CID 153380324

IUPAC2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(F)c4n3)cc2)cc1
InChIInChI=1S/C24H18FNO3/c1-2-29-18-12-10-16(11-13-18)15-6-8-17(9-7-15)22-14-20(24(27)28)19-4-3-5-21(25)23(19)26-22/h3-14H,2H2,1H3,(H,27,28)
InChIKeyTVNIYTYJWQHFKY-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.80
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid

2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid (PubChem CID 153380324) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid
PubChem CID153380324
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(F)c4n3)cc2)cc1
InChIInChI=1S/C24H18FNO3/c1-2-29-18-12-10-16(11-13-18)15-6-8-17(9-7-15)22-14-20(24(27)28)19-4-3-5-21(25)23(19)26-22/h3-14H,2H2,1H3,(H,27,28)
InChIKeyTVNIYTYJWQHFKY-UHFFFAOYSA-N
XLogP5.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid (CID 153380324) is 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid is CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(F)c4n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid?
The InChIKey is TVNIYTYJWQHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-2-29-18-12-10-16(11-13-18)15-6-8-17(9-7-15)22-14-20(24(27)28)19-4-3-5-21(25)23(19)26-22/h3-14H,2H2,1H3,(H,27,28).
What are the key properties of 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid?
2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 153380324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).