N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C21H21N3O5S — CID 55329582

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O5S/c1-14-6-7-15(30(27,28)24-8-10-29-11-9-24)12-19(14)23-21(26)17-13-20(25)22-18-5-3-2-4-16(17)18/h2-7,12-13H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyOQFCHXRUPNWYEK-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.11
Rot. Bonds4

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55329582) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55329582
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O5S/c1-14-6-7-15(30(27,28)24-8-10-29-11-9-24)12-19(14)23-21(26)17-13-20(25)22-18-5-3-2-4-16(17)18/h2-7,12-13H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyOQFCHXRUPNWYEK-UHFFFAOYSA-N
XLogP2.11
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4869878
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CID 55329602
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
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
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55340988
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 55329582) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is OQFCHXRUPNWYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-6-7-15(30(27,28)24-8-10-29-11-9-24)12-19(14)23-21(26)17-13-20(25)22-18-5-3-2-4-16(17)18/h2-7,12-13H,8-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55329582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).