6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid

C23H16FNO3 — CID 136722831

IUPAC6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H16FNO3/c1-13-21(23(27)28)19-12-17(24)8-11-20(19)25-22(13)16-4-2-14(3-5-16)15-6-9-18(26)10-7-15/h2-12,26H,1H3,(H,27,28)
InChIKeyVPAYXVXXTWMTTK-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.42
Rot. Bonds3

About 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid

6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid (PubChem CID 136722831) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
PubChem CID136722831
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H16FNO3/c1-13-21(23(27)28)19-12-17(24)8-11-20(19)25-22(13)16-4-2-14(3-5-16)15-6-9-18(26)10-7-15/h2-12,26H,1H3,(H,27,28)
InChIKeyVPAYXVXXTWMTTK-UHFFFAOYSA-N
XLogP5.42
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 87930625
6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 91934812
sodium 6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 23673428
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162
3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 162343089
3-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 123453062
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-N-methylsulfonylquinoline-4-carboxamide
CID 162659635

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid (CID 136722831) is 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid is Cc1c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccc(F)cc2c1C(=O)O.
What is the InChIKey of 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The InChIKey is VPAYXVXXTWMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c1-13-21(23(27)28)19-12-17(24)8-11-20(19)25-22(13)16-4-2-14(3-5-16)15-6-9-18(26)10-7-15/h2-12,26H,1H3,(H,27,28).
What are the key properties of 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 136722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).