2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

C21H21N3O3 — CID 155762158

IUPAC2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1c2c(nc3ccccc3c2OCCCN2CCOCC2)-c2cccn21
InChIInChI=1S/C21H21N3O3/c25-21-18-19(17-7-3-9-24(17)21)22-16-6-2-1-5-15(16)20(18)27-12-4-8-23-10-13-26-14-11-23/h1-3,5-7,9H,4,8,10-14H2
InChIKeyJSLBEVVBPOLXCH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.81
Rot. Bonds5

About 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (PubChem CID 155762158) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
PubChem CID155762158
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1c2c(nc3ccccc3c2OCCCN2CCOCC2)-c2cccn21
InChIInChI=1S/C21H21N3O3/c25-21-18-19(17-7-3-9-24(17)21)22-16-6-2-1-5-15(16)20(18)27-12-4-8-23-10-13-26-14-11-23/h1-3,5-7,9H,4,8,10-14H2
InChIKeyJSLBEVVBPOLXCH-UHFFFAOYSA-N
XLogP2.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one with MolForge

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Related Compounds

2-(2-fluoroethoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762144
11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
CID 171933673
2-(3-morpholin-4-ylpropyl)-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-9,16-dione
CID 155472052
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
9-(2-propoxyethoxy)-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one;2-(2-propoxyethyl)-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-9,16-dione
CID 158323097
5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
CID 174464455
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 4817925
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 4885742
2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The IUPAC name of 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (CID 155762158) is 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is O=C1c2c(nc3ccccc3c2OCCCN2CCOCC2)-c2cccn21.
What is the InChIKey of 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The InChIKey is JSLBEVVBPOLXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21-18-19(17-7-3-9-24(17)21)22-16-6-2-1-5-15(16)20(18)27-12-4-8-23-10-13-26-14-11-23/h1-3,5-7,9H,4,8,10-14H2.
What are the key properties of 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one has a molecular weight of 363.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is sourced from PubChem (CID 155762158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).