7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine

C27H21N3O2S — CID 164627752

IUPAC7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cc1
InChIInChI=1S/C27H21N3O2S/c1-33(31,32)23-10-7-19(8-11-23)21-9-12-24-25(14-16-29-27(24)17-21)30-22-13-15-28-26(18-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,29,30)
InChIKeyOWAWLQLFAIHPQT-UHFFFAOYSA-N
MW451.55 g/mol
LogP6.11
Rot. Bonds5

About 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine

7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine (PubChem CID 164627752) has the molecular formula C27H21N3O2S and a molecular weight of 451.55 g/mol. Its IUPAC name is 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
PubChem CID164627752
Molecular FormulaC27H21N3O2S
Molecular Weight451.55 g/mol
Exact Mass451.14
IUPAC Name7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cc1
InChIInChI=1S/C27H21N3O2S/c1-33(31,32)23-10-7-19(8-11-23)21-9-12-24-25(14-16-29-27(24)17-21)30-22-13-15-28-26(18-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,29,30)
InChIKeyOWAWLQLFAIHPQT-UHFFFAOYSA-N
XLogP6.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
The IUPAC name of 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine (CID 164627752) is 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
The canonical SMILES for 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine is CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cc1.
What is the InChIKey of 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
The InChIKey is OWAWLQLFAIHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2S/c1-33(31,32)23-10-7-19(8-11-23)21-9-12-24-25(14-16-29-27(24)17-21)30-22-13-15-28-26(18-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,29,30).
What are the key properties of 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine has a molecular weight of 451.55 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylphenyl)-N-(2-phenyl-4-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 164627752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).