N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide

C23H21ClFN3O — CID 142613284

IUPACN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C23H21ClFN3O/c24-16-1-4-18(5-2-16)27-22(29)28-14-23(28)10-7-15(8-11-23)19-9-12-26-21-6-3-17(25)13-20(19)21/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,27,29)
InChIKeyZMWXMWFGNUSCDK-UHFFFAOYSA-N
MW409.89 g/mol
LogP5.97
Rot. Bonds2

About N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide

N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide (PubChem CID 142613284) has the molecular formula C23H21ClFN3O and a molecular weight of 409.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
PubChem CID142613284
Molecular FormulaC23H21ClFN3O
Molecular Weight409.89 g/mol
Exact Mass409.14
IUPAC NameN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C23H21ClFN3O/c24-16-1-4-18(5-2-16)27-22(29)28-14-23(28)10-7-15(8-11-23)19-9-12-26-21-6-3-17(25)13-20(19)21/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,27,29)
InChIKeyZMWXMWFGNUSCDK-UHFFFAOYSA-N
XLogP5.97
TPSA45.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
CID 155629867
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 139295372
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558
N-(4-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide (CID 142613284) is N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide?
The InChIKey is ZMWXMWFGNUSCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O/c24-16-1-4-18(5-2-16)27-22(29)28-14-23(28)10-7-15(8-11-23)19-9-12-26-21-6-3-17(25)13-20(19)21/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide?
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide has a molecular weight of 409.89 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide is sourced from PubChem (CID 142613284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).