7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide

C25H26FN3O2 — CID 155629867

IUPAC7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1
InChIInChI=1S/C25H26FN3O2/c1-31-20-5-3-19(4-6-20)28-24(30)29-15-13-25(29)11-8-17(9-12-25)21-10-14-27-23-7-2-18(26)16-22(21)23/h2-7,10,14,16-17H,8-9,11-13,15H2,1H3,(H,28,30)
InChIKeyHYYOHTXHMUPKSM-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.72
Rot. Bonds3

About 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide

7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide (PubChem CID 155629867) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide.

Molecular Properties

Compound Name7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
PubChem CID155629867
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1
InChIInChI=1S/C25H26FN3O2/c1-31-20-5-3-19(4-6-20)28-24(30)29-15-13-25(29)11-8-17(9-12-25)21-10-14-27-23-7-2-18(26)16-22(21)23/h2-7,10,14,16-17H,8-9,11-13,15H2,1H3,(H,28,30)
InChIKeyHYYOHTXHMUPKSM-UHFFFAOYSA-N
XLogP5.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
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
6-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[2.5]octane-1-sulfonamide
CID 155221259
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558
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)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
4-[[2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]benzamide
CID 139295457
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-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide?
The IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide (CID 155629867) is 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide.
What is the SMILES notation for 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide?
The canonical SMILES for 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide is COc1ccc(NC(=O)N2CCC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1.
What is the InChIKey of 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide?
The InChIKey is HYYOHTXHMUPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-31-20-5-3-19(4-6-20)28-24(30)29-15-13-25(29)11-8-17(9-12-25)21-10-14-27-23-7-2-18(26)16-22(21)23/h2-7,10,14,16-17H,8-9,11-13,15H2,1H3,(H,28,30).
What are the key properties of 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide?
7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide is sourced from PubChem (CID 155629867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).