N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide

C24H23ClFN3O — CID 155419801

IUPACN-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2
InChIInChI=1S/C24H23ClFN3O/c25-17-1-4-19(5-2-17)28-23(30)16-7-10-24(11-8-16)14-29(15-24)22-9-12-27-21-6-3-18(26)13-20(21)22/h1-6,9,12-13,16H,7-8,10-11,14-15H2,(H,28,30)
InChIKeyWUVDYRAJLZOMHA-UHFFFAOYSA-N
MW423.92 g/mol
LogP5.66
Rot. Bonds3

About N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide

N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 155419801) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID155419801
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC NameN-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2
InChIInChI=1S/C24H23ClFN3O/c25-17-1-4-19(5-2-17)28-23(30)16-7-10-24(11-8-16)14-29(15-24)22-9-12-27-21-6-3-18(26)13-20(21)22/h1-6,9,12-13,16H,7-8,10-11,14-15H2,(H,28,30)
InChIKeyWUVDYRAJLZOMHA-UHFFFAOYSA-N
XLogP5.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 139429296
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
CID 155419803
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
CID 145078404
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
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide (CID 155419801) is N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WUVDYRAJLZOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-17-1-4-19(5-2-17)28-23(30)16-7-10-24(11-8-16)14-29(15-24)22-9-12-27-21-6-3-18(26)13-20(21)22/h1-6,9,12-13,16H,7-8,10-11,14-15H2,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide?
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 423.92 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 155419801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).