N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide

C19H19N3O6S — CID 3239267

IUPACN-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccco1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C19H19N3O6S/c23-18-15-10-14(29(25,26)22-5-8-27-9-6-22)3-4-17(15)20-12-16(18)19(24)21-11-13-2-1-7-28-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,20,23)(H,21,24)
InChIKeyOWJPCZXVMPOWCX-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.07
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide

N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3239267) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3239267
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccco1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C19H19N3O6S/c23-18-15-10-14(29(25,26)22-5-8-27-9-6-22)3-4-17(15)20-12-16(18)19(24)21-11-13-2-1-7-28-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,20,23)(H,21,24)
InChIKeyOWJPCZXVMPOWCX-UHFFFAOYSA-N
XLogP1.07
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide (CID 3239267) is N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccco1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OWJPCZXVMPOWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c23-18-15-10-14(29(25,26)22-5-8-27-9-6-22)3-4-17(15)20-12-16(18)19(24)21-11-13-2-1-7-28-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,20,23)(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide?
N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3239267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).