7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

C23H24N4O3S — CID 71579261

IUPAC7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12
InChIInChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26)
InChIKeyBAGFSYPSZHITKL-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.61
Rot. Bonds5

About 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (PubChem CID 71579261) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
PubChem CID71579261
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12
InChIInChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26)
InChIKeyBAGFSYPSZHITKL-UHFFFAOYSA-N
XLogP3.61
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (CID 71579261) is 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is CC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12.
What is the InChIKey of 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is BAGFSYPSZHITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26).
What are the key properties of 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 436.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 71579261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).