N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide

C26H27ClFN3O — CID 155419768

IUPACN-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CC1)CC(c1ccnc3ccc(F)cc13)C2)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClFN3O/c1-30(21-5-2-19(27)3-6-21)25(32)17-31-12-9-26(10-13-31)15-18(16-26)22-8-11-29-24-7-4-20(28)14-23(22)24/h2-8,11,14,18H,9-10,12-13,15-17H2,1H3
InChIKeyZDYHELNRNDVNLY-UHFFFAOYSA-N
MW451.97 g/mol
LogP5.65
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide (PubChem CID 155419768) has the molecular formula C26H27ClFN3O and a molecular weight of 451.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide
PubChem CID155419768
Molecular FormulaC26H27ClFN3O
Molecular Weight451.97 g/mol
Exact Mass451.18
IUPAC NameN-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CC1)CC(c1ccnc3ccc(F)cc13)C2)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClFN3O/c1-30(21-5-2-19(27)3-6-21)25(32)17-31-12-9-26(10-13-31)15-18(16-26)22-8-11-29-24-7-4-20(28)14-23(22)24/h2-8,11,14,18H,9-10,12-13,15-17H2,1H3
InChIKeyZDYHELNRNDVNLY-UHFFFAOYSA-N
XLogP5.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.97
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-2-yl]-N-methylacetamide
CID 155016706
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681
[(4-chlorophenyl)-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]carbamoyl]oxymethyl butanoate
CID 177124641
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide (CID 155419768) is N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide is CN(C(=O)CN1CCC2(CC1)CC(c1ccnc3ccc(F)cc13)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide?
The InChIKey is ZDYHELNRNDVNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O/c1-30(21-5-2-19(27)3-6-21)25(32)17-31-12-9-26(10-13-31)15-18(16-26)22-8-11-29-24-7-4-20(28)14-23(22)24/h2-8,11,14,18H,9-10,12-13,15-17H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide?
N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide has a molecular weight of 451.97 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-7-yl]-N-methylacetamide is sourced from PubChem (CID 155419768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).