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

C25H26FN3O — CID 139429288

IUPAC7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCN(C(=O)N1CC2(CCC(c3ccnc4ccc(F)cc34)CC2)C1)c1ccccc1
InChIInChI=1S/C25H26FN3O/c1-28(20-5-3-2-4-6-20)24(30)29-16-25(17-29)12-9-18(10-13-25)21-11-14-27-23-8-7-19(26)15-22(21)23/h2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3
InChIKeyUOJHEAKVVPOOFA-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.59
Rot. Bonds2

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

7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 139429288) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID139429288
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCN(C(=O)N1CC2(CCC(c3ccnc4ccc(F)cc34)CC2)C1)c1ccccc1
InChIInChI=1S/C25H26FN3O/c1-28(20-5-3-2-4-6-20)24(30)29-16-25(17-29)12-9-18(10-13-25)21-11-14-27-23-8-7-19(26)15-22(21)23/h2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3
InChIKeyUOJHEAKVVPOOFA-UHFFFAOYSA-N
XLogP5.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-N-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 155419765
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
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
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide
CID 155419768
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564

Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide (CID 139429288) is 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide is CN(C(=O)N1CC2(CCC(c3ccnc4ccc(F)cc34)CC2)C1)c1ccccc1.
What is the InChIKey of 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is UOJHEAKVVPOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-28(20-5-3-2-4-6-20)24(30)29-16-25(17-29)12-9-18(10-13-25)21-11-14-27-23-8-7-19(26)15-22(21)23/h2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3.
What are the key properties of 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide?
7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 139429288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).