N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine

C27H20FN3O2S — CID 164611784

IUPACN-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccc(F)cc5)c4)ccnc3c2)cc1
InChIInChI=1S/C27H20FN3O2S/c1-34(32,33)23-9-4-18(5-10-23)20-6-11-24-25(13-15-30-27(24)16-20)31-22-12-14-29-26(17-22)19-2-7-21(28)8-3-19/h2-17H,1H3,(H,29,30,31)
InChIKeyOWWRMDBDEKIWBK-UHFFFAOYSA-N
MW469.54 g/mol
LogP6.25
Rot. Bonds5

About N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine

N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine (PubChem CID 164611784) has the molecular formula C27H20FN3O2S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
PubChem CID164611784
Molecular FormulaC27H20FN3O2S
Molecular Weight469.54 g/mol
Exact Mass469.13
IUPAC NameN-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccc(F)cc5)c4)ccnc3c2)cc1
InChIInChI=1S/C27H20FN3O2S/c1-34(32,33)23-9-4-18(5-10-23)20-6-11-24-25(13-15-30-27(24)16-20)31-22-12-14-29-26(17-22)19-2-7-21(28)8-3-19/h2-17H,1H3,(H,29,30,31)
InChIKeyOWWRMDBDEKIWBK-UHFFFAOYSA-N
XLogP6.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-215083 C-11
CID 11696674
4-phenyl-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
CID 9889681
4-tert-butyl-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
CID 9954121
8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
CID 10172764
CID 10172764
8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
(E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)quinoline
CID 10301548
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
TGFbetaRI-IN-3
CID 162640856
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164619096
N-[2-(2-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625072
N-[2-(2-methylphenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625701

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine (CID 164611784) is N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine is CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccc(F)cc5)c4)ccnc3c2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The InChIKey is OWWRMDBDEKIWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2S/c1-34(32,33)23-9-4-18(5-10-23)20-6-11-24-25(13-15-30-27(24)16-20)31-22-12-14-29-26(17-22)19-2-7-21(28)8-3-19/h2-17H,1H3,(H,29,30,31).
What are the key properties of N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine has a molecular weight of 469.54 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 164611784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).