4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide

C23H29N3O4S — CID 139004419

IUPAC4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CC4(CCC4)C3C3CC3)c2c1
InChIInChI=1S/C23H29N3O4S/c1-3-25(4-2)31(29,30)16-8-9-19-17(12-16)18(13-20(27)24-19)22(28)26-14-23(10-5-11-23)21(26)15-6-7-15/h8-9,12-13,15,21H,3-7,10-11,14H2,1-2H3,(H,24,27)
InChIKeyIVRUUWYGOQCZFF-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.96
Rot. Bonds6

About 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide

4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 139004419) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID139004419
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CC4(CCC4)C3C3CC3)c2c1
InChIInChI=1S/C23H29N3O4S/c1-3-25(4-2)31(29,30)16-8-9-19-17(12-16)18(13-20(27)24-19)22(28)26-14-23(10-5-11-23)21(26)15-6-7-15/h8-9,12-13,15,21H,3-7,10-11,14H2,1-2H3,(H,24,27)
InChIKeyIVRUUWYGOQCZFF-UHFFFAOYSA-N
XLogP2.96
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55538796
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55786394
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one
CID 139004422
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
CID 55676078
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 139004419) is 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CC4(CCC4)C3C3CC3)c2c1.
What is the InChIKey of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is IVRUUWYGOQCZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-25(4-2)31(29,30)16-8-9-19-17(12-16)18(13-20(27)24-19)22(28)26-14-23(10-5-11-23)21(26)15-6-7-15/h8-9,12-13,15,21H,3-7,10-11,14H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide?
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 139004419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).