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

C25H26FN3O — CID 155419707

IUPAC7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3(CCC(c4ccnc5ccc(F)cc45)CC3)C2)cc1
InChIInChI=1S/C25H26FN3O/c1-17-2-5-20(6-3-17)28-24(30)29-15-25(16-29)11-8-18(9-12-25)21-10-13-27-23-7-4-19(26)14-22(21)23/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3,(H,28,30)
InChIKeyHDSCUQPOEJLBBG-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.87
Rot. Bonds2

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

7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 155419707) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID155419707
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3(CCC(c4ccnc5ccc(F)cc45)CC3)C2)cc1
InChIInChI=1S/C25H26FN3O/c1-17-2-5-20(6-3-17)28-24(30)29-15-25(16-29)11-8-18(9-12-25)21-10-13-27-23-7-4-19(26)14-22(21)23/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3,(H,28,30)
InChIKeyHDSCUQPOEJLBBG-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
CID 155629867
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
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
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207

Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide (CID 155419707) is 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide is Cc1ccc(NC(=O)N2CC3(CCC(c4ccnc5ccc(F)cc45)CC3)C2)cc1.
What is the InChIKey of 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is HDSCUQPOEJLBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-17-2-5-20(6-3-17)28-24(30)29-15-25(16-29)11-8-18(9-12-25)21-10-13-27-23-7-4-19(26)14-22(21)23/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3,(H,28,30).
What are the key properties of 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide?
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 155419707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).