6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide

C23H24FN3O3S — CID 155221259

IUPAC6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1
InChIInChI=1S/C23H24FN3O3S/c1-30-19-5-3-18(4-6-19)26-31(28,29)27-15-23(27)11-8-16(9-12-23)20-10-13-25-22-7-2-17(24)14-21(20)22/h2-7,10,13-14,16,26H,8-9,11-12,15H2,1H3
InChIKeyPPQRIRVRUGEVAY-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.45
Rot. Bonds5

About 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide

6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide (PubChem CID 155221259) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide.

Molecular Properties

Compound Name6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide
PubChem CID155221259
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1
InChIInChI=1S/C23H24FN3O3S/c1-30-19-5-3-18(4-6-19)26-31(28,29)27-15-23(27)11-8-16(9-12-23)20-10-13-25-22-7-2-17(24)14-21(20)22/h2-7,10,13-14,16,26H,8-9,11-12,15H2,1H3
InChIKeyPPQRIRVRUGEVAY-UHFFFAOYSA-N
XLogP4.45
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
CID 155629867
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558
1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride
CID 154646250
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
methyl 2-[4-(6-fluoroquinolin-4-yl)cyclohexylidene]acetate
CID 138664999
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide?
The IUPAC name of 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide (CID 155221259) is 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide.
What is the SMILES notation for 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide?
The canonical SMILES for 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide is COc1ccc(NS(=O)(=O)N2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1.
What is the InChIKey of 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide?
The InChIKey is PPQRIRVRUGEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-30-19-5-3-18(4-6-19)26-31(28,29)27-15-23(27)11-8-16(9-12-23)20-10-13-25-22-7-2-17(24)14-21(20)22/h2-7,10,13-14,16,26H,8-9,11-12,15H2,1H3.
What are the key properties of 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide?
6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide has a molecular weight of 441.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide is sourced from PubChem (CID 155221259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).