6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol

C21H23N5O — CID 154598962

IUPAC6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C21H23N5O/c1-26(16-10-14-4-5-15(11-16)23-14)21-7-6-18(24-25-21)17-9-13-3-2-8-22-19(13)12-20(17)27/h2-3,6-9,12,14-16,23,27H,4-5,10-11H2,1H3
InChIKeyJIXFCMZAXPWKMX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.12
Rot. Bonds3

About 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol

6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 154598962) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID154598962
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C21H23N5O/c1-26(16-10-14-4-5-15(11-16)23-14)21-7-6-18(24-25-21)17-9-13-3-2-8-22-19(13)12-20(17)27/h2-3,6-9,12,14-16,23,27H,4-5,10-11H2,1H3
InChIKeyJIXFCMZAXPWKMX-UHFFFAOYSA-N
XLogP3.12
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol with MolForge

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Related Compounds

6-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586609
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol
CID 155407718
2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol
CID 154598973
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2-methylpyrimidin-5-yl)phenol
CID 154983334
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154983358
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 154983316
5-[4-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 154983385
6-[6-[[(1R,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-hydroxy-N-methyl-1-benzofuran-2-carboxamide
CID 160636221
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 137197289
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
CID 136607577

Frequently Asked Questions

What is the IUPAC name of 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol (CID 154598962) is 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC2CCC(C1)N2.
What is the InChIKey of 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is JIXFCMZAXPWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-26(16-10-14-4-5-15(11-16)23-14)21-7-6-18(24-25-21)17-9-13-3-2-8-22-19(13)12-20(17)27/h2-3,6-9,12,14-16,23,27H,4-5,10-11H2,1H3.
What are the key properties of 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol?
6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 361.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 154598962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).