4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile

C19H17N3O2S — CID 71579414

IUPAC4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
SMILESCN(C)c1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3
InChIKeyBILKHMZRPSZWEH-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.24
Rot. Bonds3

About 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile

4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile (PubChem CID 71579414) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
PubChem CID71579414
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
SMILESCN(C)c1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3
InChIKeyBILKHMZRPSZWEH-UHFFFAOYSA-N
XLogP3.24
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile (CID 71579414) is 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile is CN(C)c1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12.
What is the InChIKey of 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile?
The InChIKey is BILKHMZRPSZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3.
What are the key properties of 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile?
4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile has a molecular weight of 351.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile is sourced from PubChem (CID 71579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).