3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid

C24H19FN2O2 — CID 15085956

IUPAC3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESCN(C)c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C24H19FN2O2/c1-27(2)23-21(24(28)29)19-14-18(25)12-13-20(19)26-22(23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,28,29)
InChIKeyYGYKXUBJBARWCF-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.47
Rot. Bonds4

About 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid

3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid (PubChem CID 15085956) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
PubChem CID15085956
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESCN(C)c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C24H19FN2O2/c1-27(2)23-21(24(28)29)19-14-18(25)12-13-20(19)26-22(23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,28,29)
InChIKeyYGYKXUBJBARWCF-UHFFFAOYSA-N
XLogP5.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid (CID 15085956) is 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid is CN(C)c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O.
What is the InChIKey of 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The InChIKey is YGYKXUBJBARWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-27(2)23-21(24(28)29)19-14-18(25)12-13-20(19)26-22(23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,28,29).
What are the key properties of 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 15085956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).