4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

C25H20N2O2 — CID 2793733

IUPAC4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESO=c1c(-c2ccccc2)c(N2CCOCC2)c2cccc3c4ccccc4n1c23
InChIInChI=1S/C25H20N2O2/c28-25-22(17-7-2-1-3-8-17)24(26-13-15-29-16-14-26)20-11-6-10-19-18-9-4-5-12-21(18)27(25)23(19)20/h1-12H,13-16H2
InChIKeyXRYHGIOZCJLXNO-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.55
Rot. Bonds2

About 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (PubChem CID 2793733) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
PubChem CID2793733
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESO=c1c(-c2ccccc2)c(N2CCOCC2)c2cccc3c4ccccc4n1c23
InChIInChI=1S/C25H20N2O2/c28-25-22(17-7-2-1-3-8-17)24(26-13-15-29-16-14-26)20-11-6-10-19-18-9-4-5-12-21(18)27(25)23(19)20/h1-12H,13-16H2
InChIKeyXRYHGIOZCJLXNO-UHFFFAOYSA-N
XLogP4.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one with MolForge

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Related Compounds

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CID 9998753
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CID 9999613
Anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 10003802
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CID 10093111
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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The IUPAC name of 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (CID 2793733) is 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.
What is the SMILES notation for 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The canonical SMILES for 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is O=c1c(-c2ccccc2)c(N2CCOCC2)c2cccc3c4ccccc4n1c23.
What is the InChIKey of 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The InChIKey is XRYHGIOZCJLXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25-22(17-7-2-1-3-8-17)24(26-13-15-29-16-14-26)20-11-6-10-19-18-9-4-5-12-21(18)27(25)23(19)20/h1-12H,13-16H2.
What are the key properties of 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one has a molecular weight of 380.45 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is sourced from PubChem (CID 2793733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).