8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine

C22H26N6O2 — CID 175680000

IUPAC8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
SMILESCc1nc(CN(Cc2cnc3ccccc3c2)C2=NC3(CCN(C)CC3)ON2)co1
InChIInChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-11-18-5-3-4-6-20(18)23-12-17)21-25-22(30-26-21)7-9-27(2)10-8-22/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,26)
InChIKeyLGKREUWYYDHTGO-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.85
Rot. Bonds4

About 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine

8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine (PubChem CID 175680000) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine.

Molecular Properties

Compound Name8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
PubChem CID175680000
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
SMILESCc1nc(CN(Cc2cnc3ccccc3c2)C2=NC3(CCN(C)CC3)ON2)co1
InChIInChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-11-18-5-3-4-6-20(18)23-12-17)21-25-22(30-26-21)7-9-27(2)10-8-22/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,26)
InChIKeyLGKREUWYYDHTGO-UHFFFAOYSA-N
XLogP2.85
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine with MolForge

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Related Compounds

(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 16068449
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
CID 71694315
2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95147070
8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-6-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
CID 175680001
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
CID 119046010
4,5-Dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 133401245
2-[[4-(6,8-Difluoroquinolin-4-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 133518800
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6,8-difluoroquinolin-4-amine
CID 133519288
3-[(5-Tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 66595243
1-[5-[2-(2-Hydroxypropan-2-yl)pyrimidin-4-yl]-2-methylphenyl]-1-[2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-4-yl]urea
CID 67958392
[2-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-oxazol-4-yl]methyl-oxo-(4-propan-2-ylphenyl)azanium
CID 123890941
2,5-Dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole
CID 139466465

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine?
The IUPAC name of 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine (CID 175680000) is 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine.
What is the SMILES notation for 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine?
The canonical SMILES for 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine is Cc1nc(CN(Cc2cnc3ccccc3c2)C2=NC3(CCN(C)CC3)ON2)co1.
What is the InChIKey of 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine?
The InChIKey is LGKREUWYYDHTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-11-18-5-3-4-6-20(18)23-12-17)21-25-22(30-26-21)7-9-27(2)10-8-22/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,26).
What are the key properties of 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine?
8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine has a molecular weight of 406.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine is sourced from PubChem (CID 175680000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).