N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H26ClN3O2 — CID 45165561

IUPACN-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCN(Cc2ccc4ncccc4c2)CC3)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-7-5-19(14-21(23)26)28-24(30)20-15-25(20)8-11-29(12-9-25)16-17-4-6-22-18(13-17)3-2-10-27-22/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3,(H,28,30)
InChIKeyZPFGWFHSHFKKGC-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.14
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45165561) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45165561
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCN(Cc2ccc4ncccc4c2)CC3)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-7-5-19(14-21(23)26)28-24(30)20-15-25(20)8-11-29(12-9-25)16-17-4-6-22-18(13-17)3-2-10-27-22/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3,(H,28,30)
InChIKeyZPFGWFHSHFKKGC-UHFFFAOYSA-N
XLogP5.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45166342
6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45202277
N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463182
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
(2S)-6-(1,3-benzothiazol-2-ylmethyl)-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42399151
N-(3-chloro-4-methoxyphenyl)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45181094
(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26349243
N-(3,5-dimethylphenyl)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45188828
(2S)-6-[(4-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42213377
(2R)-N-(3-chloro-4-methoxyphenyl)-6-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42248164
ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 118754894
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45165561) is N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(NC(=O)C2CC23CCN(Cc2ccc4ncccc4c2)CC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZPFGWFHSHFKKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-23-7-5-19(14-21(23)26)28-24(30)20-15-25(20)8-11-29(12-9-25)16-17-4-6-22-18(13-17)3-2-10-27-22/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45165561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).