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

C24H18FNO3 — CID 153380413

IUPAC6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESCOCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1
InChIInChI=1S/C24H18FNO3/c1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23/h2-13H,14H2,1H3,(H,27,28)
InChIKeyOBOKQLXUTVCQGP-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.55
Rot. Bonds5

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

6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid (PubChem CID 153380413) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
PubChem CID153380413
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESCOCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1
InChIInChI=1S/C24H18FNO3/c1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23/h2-13H,14H2,1H3,(H,27,28)
InChIKeyOBOKQLXUTVCQGP-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-[4-(3-ethoxyphenyl)thiophen-2-yl]-6-fluoroquinoline-4-carboxylic acid
CID 156538238
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
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-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid (CID 153380413) is 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid is COCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.
What is the InChIKey of 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid?
The InChIKey is OBOKQLXUTVCQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23/h2-13H,14H2,1H3,(H,27,28).
What are the key properties of 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid?
6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 153380413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).