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

C23H17FN2O2 — CID 153380344

IUPAC6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h2-13,25H,1H3,(H,27,28)
InChIKeyPWDZTVYAXMKEKO-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.45
Rot. Bonds4

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

6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid (PubChem CID 153380344) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
PubChem CID153380344
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h2-13,25H,1H3,(H,27,28)
InChIKeyPWDZTVYAXMKEKO-UHFFFAOYSA-N
XLogP5.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380413
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851674
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
CID 158232455
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
CID 16789242
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid (CID 153380344) is 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid is CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.
What is the InChIKey of 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid?
The InChIKey is PWDZTVYAXMKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h2-13,25H,1H3,(H,27,28).
What are the key properties of 6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid?
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 5.45, 4 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-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 153380344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).