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

C23H23N3O6S — CID 55613097

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H23N3O6S/c27-22-13-19(23(28)24-14-16-11-15-3-1-2-4-21(15)32-16)18-12-17(5-6-20(18)25-22)33(29,30)26-7-9-31-10-8-26/h1-6,12-13,16H,7-11,14H2,(H,24,28)(H,25,27)
InChIKeyXTGGDRRHJLJVNY-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.28
Rot. Bonds5

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55613097) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55613097
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H23N3O6S/c27-22-13-19(23(28)24-14-16-11-15-3-1-2-4-21(15)32-16)18-12-17(5-6-20(18)25-22)33(29,30)26-7-9-31-10-8-26/h1-6,12-13,16H,7-11,14H2,(H,24,28)(H,25,27)
InChIKeyXTGGDRRHJLJVNY-UHFFFAOYSA-N
XLogP1.28
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-oxochromen-6-yl)-1H-quinoline-4-carboxamide
CID 55978558
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 167769192

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 55613097) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is O=C(NCC1Cc2ccccc2O1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XTGGDRRHJLJVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c27-22-13-19(23(28)24-14-16-11-15-3-1-2-4-21(15)32-16)18-12-17(5-6-20(18)25-22)33(29,30)26-7-9-31-10-8-26/h1-6,12-13,16H,7-11,14H2,(H,24,28)(H,25,27).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55613097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).