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

C25H23F4N3O — CID 155221283

IUPAC7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C25H23F4N3O/c26-18-3-6-22-21(15-18)20(9-13-30-22)16-7-10-24(11-8-16)12-14-32(24)23(33)31-19-4-1-17(2-5-19)25(27,28)29/h1-6,9,13,15-16H,7-8,10-12,14H2,(H,31,33)
InChIKeyJCZQIPZINLDEMJ-UHFFFAOYSA-N
MW457.47 g/mol
LogP6.73
Rot. Bonds2

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

7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide (PubChem CID 155221283) has the molecular formula C25H23F4N3O and a molecular weight of 457.47 g/mol. Its IUPAC name is 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide.

Molecular Properties

Compound Name7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
PubChem CID155221283
Molecular FormulaC25H23F4N3O
Molecular Weight457.47 g/mol
Exact Mass457.18
IUPAC Name7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C25H23F4N3O/c26-18-3-6-22-21(15-18)20(9-13-30-22)16-7-10-24(11-8-16)12-14-32(24)23(33)31-19-4-1-17(2-5-19)25(27,28)29/h1-6,9,13,15-16H,7-8,10-12,14H2,(H,31,33)
InChIKeyJCZQIPZINLDEMJ-UHFFFAOYSA-N
XLogP6.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide with MolForge

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Related Compounds

7-(6-fluoroquinolin-4-yl)-N-(4-methoxyphenyl)-1-azaspiro[3.5]nonane-1-carboxamide
CID 155629867
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-(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-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
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
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 121333300

Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide?
The IUPAC name of 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide (CID 155221283) is 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide.
What is the SMILES notation for 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide?
The canonical SMILES for 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide?
The InChIKey is JCZQIPZINLDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N3O/c26-18-3-6-22-21(15-18)20(9-13-30-22)16-7-10-24(11-8-16)12-14-32(24)23(33)31-19-4-1-17(2-5-19)25(27,28)29/h1-6,9,13,15-16H,7-8,10-12,14H2,(H,31,33).
What are the key properties of 7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide?
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 6.73, 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-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide is sourced from PubChem (CID 155221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).