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

C22H26N6O2 — CID 175680001

IUPAC8-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
SMILESCc1nc(CN(Cc2ccc3ncccc3c2)C2=NC3(CCN(C)CC3)ON2)co1
InChIInChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-5-6-20-18(12-17)4-3-9-23-20)21-25-22(30-26-21)7-10-27(2)11-8-22/h3-6,9,12,15H,7-8,10-11,13-14H2,1-2H3,(H,25,26)
InChIKeyOSXILCJNCIJUSA-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.85
Rot. Bonds4

About 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

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 (PubChem CID 175680001) 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-6-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-6-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
PubChem CID175680001
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name8-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
SMILESCc1nc(CN(Cc2ccc3ncccc3c2)C2=NC3(CCN(C)CC3)ON2)co1
InChIInChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-5-6-20-18(12-17)4-3-9-23-20)21-25-22(30-26-21)7-10-27(2)11-8-22/h3-6,9,12,15H,7-8,10-11,13-14H2,1-2H3,(H,25,26)
InChIKeyOSXILCJNCIJUSA-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-6-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CN(Cc2ccc3ncccc3c2)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-6-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine?
The InChIKey is OSXILCJNCIJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-24-19(15-29-16)14-28(13-17-5-6-20-18(12-17)4-3-9-23-20)21-25-22(30-26-21)7-10-27(2)11-8-22/h3-6,9,12,15H,7-8,10-11,13-14H2,1-2H3,(H,25,26).
What are the key properties of 8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(quinolin-6-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-6-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-6-ylmethyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine is sourced from PubChem (CID 175680001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).