6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide

C25H29N3O5S — CID 55335721

IUPAC6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1
InChIInChI=1S/C25H29N3O5S/c1-16(2)18-4-6-19(7-5-18)17(3)26-25(30)22-15-24(29)27-23-9-8-20(14-21(22)23)34(31,32)28-10-12-33-13-11-28/h4-9,14-17H,10-13H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWEYSADPOILESDC-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.16
Rot. Bonds6

About 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide

6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 55335721) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
PubChem CID55335721
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1
InChIInChI=1S/C25H29N3O5S/c1-16(2)18-4-6-19(7-5-18)17(3)26-25(30)22-15-24(29)27-23-9-8-20(14-21(22)23)34(31,32)28-10-12-33-13-11-28/h4-9,14-17H,10-13H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWEYSADPOILESDC-UHFFFAOYSA-N
XLogP3.16
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55452724
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696195
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696194
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 98477613
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55340988
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide (CID 55335721) is 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide is CC(C)c1ccc(C(C)NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is WEYSADPOILESDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-16(2)18-4-6-19(7-5-18)17(3)26-25(30)22-15-24(29)27-23-9-8-20(14-21(22)23)34(31,32)28-10-12-33-13-11-28/h4-9,14-17H,10-13H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55335721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).