N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide

C23H21ClFN3O — CID 155419765

IUPACN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCN(C(=O)N1CC2(CC(c3ccnc4ccc(F)cc34)C2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O/c1-27(18-5-2-16(24)3-6-18)22(29)28-13-23(14-28)11-15(12-23)19-8-9-26-21-7-4-17(25)10-20(19)21/h2-10,15H,11-14H2,1H3
InChIKeyGJMCWRVSDBHBHP-UHFFFAOYSA-N
MW409.89 g/mol
LogP5.46
Rot. Bonds2

About N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide

N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 155419765) 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)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID155419765
Molecular FormulaC23H21ClFN3O
Molecular Weight409.89 g/mol
Exact Mass409.14
IUPAC NameN-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCN(C(=O)N1CC2(CC(c3ccnc4ccc(F)cc34)C2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O/c1-27(18-5-2-16(24)3-6-18)22(29)28-13-23(14-28)11-15(12-23)19-8-9-26-21-7-4-17(25)10-20(19)21/h2-10,15H,11-14H2,1H3
InChIKeyGJMCWRVSDBHBHP-UHFFFAOYSA-N
XLogP5.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide
CID 155419768
7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681
[(4-chlorophenyl)-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]carbamoyl]oxymethyl butanoate
CID 177124641
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 139295372
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide (CID 155419765) is N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide is CN(C(=O)N1CC2(CC(c3ccnc4ccc(F)cc34)C2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is GJMCWRVSDBHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O/c1-27(18-5-2-16(24)3-6-18)22(29)28-13-23(14-28)11-15(12-23)19-8-9-26-21-7-4-17(25)10-20(19)21/h2-10,15H,11-14H2,1H3.
What are the key properties of N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 409.89 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 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)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 155419765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).