14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one

C21H14N2O3 — CID 135572401

IUPAC14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one
SMILESO=C1NC(c2ccc(O)cc2)=NC2Oc3ccc4ccccc4c3C=C12
InChIInChI=1S/C21H14N2O3/c24-14-8-5-13(6-9-14)19-22-20(25)17-11-16-15-4-2-1-3-12(15)7-10-18(16)26-21(17)23-19/h1-11,21,24H,(H,22,23,25)
InChIKeyHTDVYZJSCPACSL-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.22
Rot. Bonds1

About 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one

14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one (PubChem CID 135572401) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one.

Molecular Properties

Compound Name14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one
PubChem CID135572401
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one
SMILESO=C1NC(c2ccc(O)cc2)=NC2Oc3ccc4ccccc4c3C=C12
InChIInChI=1S/C21H14N2O3/c24-14-8-5-13(6-9-14)19-22-20(25)17-11-16-15-4-2-1-3-12(15)7-10-18(16)26-21(17)23-19/h1-11,21,24H,(H,22,23,25)
InChIKeyHTDVYZJSCPACSL-UHFFFAOYSA-N
XLogP3.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one?
The IUPAC name of 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one (CID 135572401) is 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one.
What is the SMILES notation for 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one?
The canonical SMILES for 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one is O=C1NC(c2ccc(O)cc2)=NC2Oc3ccc4ccccc4c3C=C12.
What is the InChIKey of 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one?
The InChIKey is HTDVYZJSCPACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c24-14-8-5-13(6-9-14)19-22-20(25)17-11-16-15-4-2-1-3-12(15)7-10-18(16)26-21(17)23-19/h1-11,21,24H,(H,22,23,25).
What are the key properties of 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one?
14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one has a molecular weight of 342.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-hydroxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,17-heptaen-16-one is sourced from PubChem (CID 135572401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).