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

C21H21N3O3 — CID 155472052

IUPAC2-(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
SMILESO=C1c2c(c(=O)c3ccccc3n2CCCN2CCOCC2)-c2cccn21
InChIInChI=1S/C21H21N3O3/c25-20-15-5-1-2-6-16(15)23(10-4-8-22-11-13-27-14-12-22)19-18(20)17-7-3-9-24(17)21(19)26/h1-3,5-7,9H,4,8,10-14H2
InChIKeyIDFYKIGWSPHEPV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.19
Rot. Bonds4

About 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

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 (PubChem CID 155472052) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID155472052
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(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
SMILESO=C1c2c(c(=O)c3ccccc3n2CCCN2CCOCC2)-c2cccn21
InChIInChI=1S/C21H21N3O3/c25-20-15-5-1-2-6-16(15)23(10-4-8-22-11-13-27-14-12-22)19-18(20)17-7-3-9-24(17)21(19)26/h1-3,5-7,9H,4,8,10-14H2
InChIKeyIDFYKIGWSPHEPV-UHFFFAOYSA-N
XLogP2.19
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
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
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
CID 10267337
5-methyl-3-(3-morpholin-4-ylpropyl)pyrimido[5,4-b]indol-4-one
CID 666243
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
CID 130289500
ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate
CID 155762058
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
CID 11846737

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2c(c(=O)c3ccccc3n2CCCN2CCOCC2)-c2cccn21.
What is the InChIKey of 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?
The InChIKey is IDFYKIGWSPHEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20-15-5-1-2-6-16(15)23(10-4-8-22-11-13-27-14-12-22)19-18(20)17-7-3-9-24(17)21(19)26/h1-3,5-7,9H,4,8,10-14H2.
What are the key properties of 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?
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 has a molecular weight of 363.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155472052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).