7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one

C22H25N3O — CID 19778114

IUPAC7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one
SMILESO=c1c2c3ccccc3n3c2c(cn1C1CCN2CCCC1C2)CCC3
InChIInChI=1S/C22H25N3O/c26-22-20-17-7-1-2-8-19(17)24-11-4-6-16(21(20)24)14-25(22)18-9-12-23-10-3-5-15(18)13-23/h1-2,7-8,14-15,18H,3-6,9-13H2
InChIKeyQCOHKWFRFKHAOX-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.56
Rot. Bonds1

About 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one

7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one (PubChem CID 19778114) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one.

Molecular Properties

Compound Name7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one
PubChem CID19778114
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one
SMILESO=c1c2c3ccccc3n3c2c(cn1C1CCN2CCCC1C2)CCC3
InChIInChI=1S/C22H25N3O/c26-22-20-17-7-1-2-8-19(17)24-11-4-6-16(21(20)24)14-25(22)18-9-12-23-10-3-5-15(18)13-23/h1-2,7-8,14-15,18H,3-6,9-13H2
InChIKeyQCOHKWFRFKHAOX-UHFFFAOYSA-N
XLogP3.56
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one with MolForge

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Related Compounds

7-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one;hydrochloride
CID 67900843
2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpyrido[4,3-b]indol-1-one;hydrochloride
CID 19778092
7-tert-butyl-1-aza-7-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene
CID 11142495
6-amino-2-(1-azabicyclo[3.3.1]nonan-4-yl)-5-chlorobenzo[de]isoquinoline-1,3-dione
CID 19769333
2-(1-azabicyclo[2.2.2]octan-3-yl)-4-phenylisoquinolin-1-one
CID 15656877
16,17-dihydroxy-4,14,20-triazaheptacyclo[12.12.2.02,6.07,28.08,13.020,27.021,26]octacosa-1,6,8,10,12,21,23,25,27-nonaene-3,5-dione
CID 25070295
18-chloro-8-azapentacyclo[11.7.1.02,7.08,21.015,20]henicosa-1(20),2,4,6,13(21),14,16,18-octaene
CID 56653854
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 53359870
6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),13(17),14-tetraene-4,8-dione
CID 59754434
6-(1-azabicyclo[2.2.2]octan-3-yl)-11-methoxy-6-azatricyclo[6.3.1.04,12]dodeca-1(11),4,8(12),9-tetraen-7-one
CID 134913548
2-(1-azabicyclo[3.2.2]nonan-4-yl)-4,5-diethylisoquinolin-1-one
CID 142101672
2-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
CID 59745891

Frequently Asked Questions

What is the IUPAC name of 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one?
The IUPAC name of 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one (CID 19778114) is 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one.
What is the SMILES notation for 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one?
The canonical SMILES for 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one is O=c1c2c3ccccc3n3c2c(cn1C1CCN2CCCC1C2)CCC3.
What is the InChIKey of 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one?
The InChIKey is QCOHKWFRFKHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22-20-17-7-1-2-8-19(17)24-11-4-6-16(21(20)24)14-25(22)18-9-12-23-10-3-5-15(18)13-23/h1-2,7-8,14-15,18H,3-6,9-13H2.
What are the key properties of 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one?
7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one has a molecular weight of 347.46 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azabicyclo[3.3.1]nonan-4-yl)-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaen-8-one is sourced from PubChem (CID 19778114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).