5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid

C26H21FN2O3 — CID 141340562

IUPAC5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid
SMILESCOc1ccc2c(c1)N(c1cnc3ccc(C(=O)O)c(-c4ccc(F)cc4)c3c1)CCC2
InChIInChI=1S/C26H21FN2O3/c1-32-20-9-6-16-3-2-12-29(24(16)14-20)19-13-22-23(28-15-19)11-10-21(26(30)31)25(22)17-4-7-18(27)8-5-17/h4-11,13-15H,2-3,12H2,1H3,(H,30,31)
InChIKeyUZEOQXDKLNSXOI-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.83
Rot. Bonds4

About 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid

5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid (PubChem CID 141340562) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid
PubChem CID141340562
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC Name5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid
SMILESCOc1ccc2c(c1)N(c1cnc3ccc(C(=O)O)c(-c4ccc(F)cc4)c3c1)CCC2
InChIInChI=1S/C26H21FN2O3/c1-32-20-9-6-16-3-2-12-29(24(16)14-20)19-13-22-23(28-15-19)11-10-21(26(30)31)25(22)17-4-7-18(27)8-5-17/h4-11,13-15H,2-3,12H2,1H3,(H,30,31)
InChIKeyUZEOQXDKLNSXOI-UHFFFAOYSA-N
XLogP5.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

11-[3-[4-(2-Fluorophenyl)piperazin-1-yl]propoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 168283865
2-[(4-Fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-YL)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 4429955
N-[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methylphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526149
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 134133571
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 134140686
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 134150412
MAO-A/5-HT2AR Inhibitor I14
CID 165413186
3-[(E)-2-(4-methoxyquinolin-3-yl)ethenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 168277109
Ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296056
Ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296058
Ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296266
Ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296270

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid (CID 141340562) is 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid is COc1ccc2c(c1)N(c1cnc3ccc(C(=O)O)c(-c4ccc(F)cc4)c3c1)CCC2.
What is the InChIKey of 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid?
The InChIKey is UZEOQXDKLNSXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c1-32-20-9-6-16-3-2-12-29(24(16)14-20)19-13-22-23(28-15-19)11-10-21(26(30)31)25(22)17-4-7-18(27)8-5-17/h4-11,13-15H,2-3,12H2,1H3,(H,30,31).
What are the key properties of 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid?
5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid has a molecular weight of 428.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline-6-carboxylic acid is sourced from PubChem (CID 141340562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).