[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

C23H25N5O2 — CID 134074024

IUPAC[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCc1ccc(NC2COC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)nn1
InChIInChI=1S/C23H25N5O2/c1-16-6-9-21(27-26-16)24-18-14-23(30-15-18)10-12-28(13-11-23)22(29)20-8-7-17-4-2-3-5-19(17)25-20/h2-9,18H,10-15H2,1H3,(H,24,27)
InChIKeySGZPGSOECWACTM-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.21
Rot. Bonds3

About [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (PubChem CID 134074024) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
PubChem CID134074024
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCc1ccc(NC2COC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)nn1
InChIInChI=1S/C23H25N5O2/c1-16-6-9-21(27-26-16)24-18-14-23(30-15-18)10-12-28(13-11-23)22(29)20-8-7-17-4-2-3-5-19(17)25-20/h2-9,18H,10-15H2,1H3,(H,24,27)
InChIKeySGZPGSOECWACTM-UHFFFAOYSA-N
XLogP3.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone 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

3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 134074869
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796
[(3S,5S)-3-ethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97475014
(2-methylfuran-3-yl)-[(3R,5S)-3-[(6-methylpyridazin-3-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489434
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
N-(6-methylpyridazin-3-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131641336
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134071125
N-(6-methylpyridazin-3-yl)-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171686063
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (CID 134074024) is [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is Cc1ccc(NC2COC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)nn1.
What is the InChIKey of [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The InChIKey is SGZPGSOECWACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-6-9-21(27-26-16)24-18-14-23(30-15-18)10-12-28(13-11-23)22(29)20-8-7-17-4-2-3-5-19(17)25-20/h2-9,18H,10-15H2,1H3,(H,24,27).
What are the key properties of [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone has a molecular weight of 403.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 134074024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).