1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone

C22H22N4O3 — CID 109174019

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2cccc3cccnc23)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H22N4O3/c27-21(26-11-7-22(8-12-26)28-13-14-29-22)17-6-10-23-19(15-17)25-18-5-1-3-16-4-2-9-24-20(16)18/h1-6,9-10,15H,7-8,11-14H2,(H,23,25)
InChIKeyOTKGXYQMKYUQFD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone (PubChem CID 109174019) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
PubChem CID109174019
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2cccc3cccnc23)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H22N4O3/c27-21(26-11-7-22(8-12-26)28-13-14-29-22)17-6-10-23-19(15-17)25-18-5-1-3-16-4-2-9-24-20(16)18/h1-6,9-10,15H,7-8,11-14H2,(H,23,25)
InChIKeyOTKGXYQMKYUQFD-UHFFFAOYSA-N
XLogP3.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169103
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
morpholin-4-yl-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109276540
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 20916271
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
CID 46277257
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone (CID 109174019) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone is O=C(c1ccnc(Nc2cccc3cccnc23)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone?
The InChIKey is OTKGXYQMKYUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(26-11-7-22(8-12-26)28-13-14-29-22)17-6-10-23-19(15-17)25-18-5-1-3-16-4-2-9-24-20(16)18/h1-6,9-10,15H,7-8,11-14H2,(H,23,25).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 109174019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).