16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

C20H16N2O4 — CID 54585421

IUPAC16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O
InChIInChI=1S/C20H16N2O4/c1-25-15-5-3-11(8-14(15)23)16-17-12(4-2-10-6-7-21-19(10)17)22-13-9-26-20(24)18(13)16/h2-8,16,21-23H,9H2,1H3
InChIKeyADBMXQPPNNMQLV-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.25
Rot. Bonds2

About 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (PubChem CID 54585421) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.

Molecular Properties

Compound Name16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
PubChem CID54585421
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O
InChIInChI=1S/C20H16N2O4/c1-25-15-5-3-11(8-14(15)23)16-17-12(4-2-10-6-7-21-19(10)17)22-13-9-26-20(24)18(13)16/h2-8,16,21-23H,9H2,1H3
InChIKeyADBMXQPPNNMQLV-UHFFFAOYSA-N
XLogP3.25
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The IUPAC name of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (CID 54585421) is 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.
What is the SMILES notation for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The canonical SMILES for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is COc1ccc(C2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O.
What is the InChIKey of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The InChIKey is ADBMXQPPNNMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-15-5-3-11(8-14(15)23)16-17-12(4-2-10-6-7-21-19(10)17)22-13-9-26-20(24)18(13)16/h2-8,16,21-23H,9H2,1H3.
What are the key properties of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one has a molecular weight of 348.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is sourced from PubChem (CID 54585421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).