6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid

C19H17N3O5S — CID 3236234

IUPAC6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H17N3O5S/c23-19(24)16-12-18(13-3-5-20-6-4-13)21-17-2-1-14(11-15(16)17)28(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyNTKJUXXICVOFKX-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.02
Rot. Bonds4

About 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid

6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 3236234) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID3236234
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H17N3O5S/c23-19(24)16-12-18(13-3-5-20-6-4-13)21-17-2-1-14(11-15(16)17)28(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyNTKJUXXICVOFKX-UHFFFAOYSA-N
XLogP2.02
TPSA109.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 3236234) is 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is NTKJUXXICVOFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-19(24)16-12-18(13-3-5-20-6-4-13)21-17-2-1-14(11-15(16)17)28(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10H2,(H,23,24).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid has a molecular weight of 399.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3236234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).