N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H26ClN3O2 — CID 45166342

IUPACN-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCN(Cc2cccc4ncccc24)CC3)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-8-7-18(14-21(23)26)28-24(30)20-15-25(20)9-12-29(13-10-25)16-17-4-2-6-22-19(17)5-3-11-27-22/h2-8,11,14,20H,9-10,12-13,15-16H2,1H3,(H,28,30)
InChIKeyIHAUMPOJGGZAIT-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.14
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45166342) 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-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45166342
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCN(Cc2cccc4ncccc24)CC3)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-8-7-18(14-21(23)26)28-24(30)20-15-25(20)9-12-29(13-10-25)16-17-4-2-6-22-19(17)5-3-11-27-22/h2-8,11,14,20H,9-10,12-13,15-16H2,1H3,(H,28,30)
InChIKeyIHAUMPOJGGZAIT-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-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165561
N-(3-chloro-4-methoxyphenyl)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45181094
(2S)-6-(1,3-benzothiazol-2-ylmethyl)-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42399151
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
(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26349243
N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463598
(2R)-N-(3-chloro-4-methoxyphenyl)-6-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42248164
N-(3,5-dimethylphenyl)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45188828
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45166342) is N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(NC(=O)C2CC23CCN(Cc2cccc4ncccc24)CC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is IHAUMPOJGGZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-23-8-7-18(14-21(23)26)28-24(30)20-15-25(20)9-12-29(13-10-25)16-17-4-2-6-22-19(17)5-3-11-27-22/h2-8,11,14,20H,9-10,12-13,15-16H2,1H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-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-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45166342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).