[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C26H29N5O4 — CID 142581476

IUPAC[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc2ccc(O)cc2c1N1CCC2(CC1)OCCO2)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H29N5O4/c32-20-1-2-23-21(17-20)24(30-9-5-26(6-10-30)34-15-16-35-26)22(18-28-23)25(33)31-13-11-29(12-14-31)19-3-7-27-8-4-19/h1-4,7-8,17-18,32H,5-6,9-16H2
InChIKeyIUPDYCCMWUPYDY-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.64
Rot. Bonds3

About [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 142581476) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID142581476
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc2ccc(O)cc2c1N1CCC2(CC1)OCCO2)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H29N5O4/c32-20-1-2-23-21(17-20)24(30-9-5-26(6-10-30)34-15-16-35-26)22(18-28-23)25(33)31-13-11-29(12-14-31)19-3-7-27-8-4-19/h1-4,7-8,17-18,32H,5-6,9-16H2
InChIKeyIUPDYCCMWUPYDY-UHFFFAOYSA-N
XLogP2.64
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 142581550
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581360
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581585
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581502
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 109187377
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 142581476) is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1cnc2ccc(O)cc2c1N1CCC2(CC1)OCCO2)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is IUPDYCCMWUPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c32-20-1-2-23-21(17-20)24(30-9-5-26(6-10-30)34-15-16-35-26)22(18-28-23)25(33)31-13-11-29(12-14-31)19-3-7-27-8-4-19/h1-4,7-8,17-18,32H,5-6,9-16H2.
What are the key properties of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 475.55 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 142581476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).