N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

C24H31N3O3 — CID 45165627

IUPACN-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1)C1CCCO1
InChIInChI=1S/C24H31N3O3/c28-23(22-4-2-14-29-22)26-16-20-7-8-24(30-20)9-12-27(13-10-24)17-18-5-6-21-19(15-18)3-1-11-25-21/h1,3,5-6,11,15,20,22H,2,4,7-10,12-14,16-17H2,(H,26,28)
InChIKeyXSEHRJMBYVTVPV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.04
Rot. Bonds5

About N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 45165627) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
PubChem CID45165627
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1)C1CCCO1
InChIInChI=1S/C24H31N3O3/c28-23(22-4-2-14-29-22)26-16-20-7-8-24(30-20)9-12-27(13-10-24)17-18-5-6-21-19(15-18)3-1-11-25-21/h1,3,5-6,11,15,20,22H,2,4,7-10,12-14,16-17H2,(H,26,28)
InChIKeyXSEHRJMBYVTVPV-UHFFFAOYSA-N
XLogP3.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[(2S)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 42369914
(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 42372453
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42434300
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
N-[[8-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxane-4-carboxamide
CID 45168325
4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986063

Frequently Asked Questions

What is the IUPAC name of N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (CID 45165627) is N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1)C1CCCO1.
What is the InChIKey of N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is XSEHRJMBYVTVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(22-4-2-14-29-22)26-16-20-7-8-24(30-20)9-12-27(13-10-24)17-18-5-6-21-19(15-18)3-1-11-25-21/h1,3,5-6,11,15,20,22H,2,4,7-10,12-14,16-17H2,(H,26,28).
What are the key properties of N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45165627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).