6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid

C25H19F2NO3 — CID 156547298

IUPAC6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)cc1
InChIInChI=1S/C25H19F2NO3/c1-2-11-31-18-7-3-15(4-8-18)19-9-5-16(12-22(19)27)24-14-21(25(29)30)20-13-17(26)6-10-23(20)28-24/h3-10,12-14H,2,11H2,1H3,(H,29,30)
InChIKeyACAPXRIXWCXJTC-UHFFFAOYSA-N
MW419.43 g/mol
LogP6.33
Rot. Bonds6

About 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid

6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 156547298) has the molecular formula C25H19F2NO3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID156547298
Molecular FormulaC25H19F2NO3
Molecular Weight419.43 g/mol
Exact Mass419.13
IUPAC Name6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)cc1
InChIInChI=1S/C25H19F2NO3/c1-2-11-31-18-7-3-15(4-8-18)19-9-5-16(12-22(19)27)24-14-21(25(29)30)20-13-17(26)6-10-23(20)28-24/h3-10,12-14H,2,11H2,1H3,(H,29,30)
InChIKeyACAPXRIXWCXJTC-UHFFFAOYSA-N
XLogP6.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-butoxyphenyl)-3-fluorophenyl]-6-fluoro-4-methylquinoline
CID 170148996
6-fluoro-2-[5-(4-nonoxyphenyl)-2-pyridinyl]quinoline-4-carboxylic acid
CID 156802368
2-[4-(2-butoxyphenyl)-3-methylphenyl]-6-fluoroquinoline-4-carboxylic acid
CID 175339893
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
2-[3-fluoro-4-(4-pentoxyphenyl)phenyl]-6-methylquinoline-4-carbaldehyde
CID 170149077
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
6-azido-2-[4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 169069488
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-[4-[4-(ethylamino)phenyl]-3-fluorophenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547433
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline
CID 170149031
2-(4-propoxyphenyl)benzoic acid
CID 62802761

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid (CID 156547298) is 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid is CCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)cc1.
What is the InChIKey of 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is ACAPXRIXWCXJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO3/c1-2-11-31-18-7-3-15(4-8-18)19-9-5-16(12-22(19)27)24-14-21(25(29)30)20-13-17(26)6-10-23(20)28-24/h3-10,12-14H,2,11H2,1H3,(H,29,30).
What are the key properties of 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid?
6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 419.43 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 156547298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).