11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

C21H14N2O2 — CID 53389088

IUPAC11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESO=c1[nH]cnc2c1C(c1ccccc1)c1ccc3ccccc3c1O2
InChIInChI=1S/C21H14N2O2/c24-20-18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)25-21(18)23-12-22-20/h1-12,17H,(H,22,23,24)
InChIKeyDNKHMOTYGRQYKW-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.21
Rot. Bonds1

About 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (PubChem CID 53389088) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.

Molecular Properties

Compound Name11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
PubChem CID53389088
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESO=c1[nH]cnc2c1C(c1ccccc1)c1ccc3ccccc3c1O2
InChIInChI=1S/C21H14N2O2/c24-20-18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)25-21(18)23-12-22-20/h1-12,17H,(H,22,23,24)
InChIKeyDNKHMOTYGRQYKW-UHFFFAOYSA-N
XLogP4.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The IUPAC name of 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (CID 53389088) is 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.
What is the SMILES notation for 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The canonical SMILES for 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is O=c1[nH]cnc2c1C(c1ccccc1)c1ccc3ccccc3c1O2.
What is the InChIKey of 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The InChIKey is DNKHMOTYGRQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-20-18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)25-21(18)23-12-22-20/h1-12,17H,(H,22,23,24).
What are the key properties of 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one has a molecular weight of 326.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is sourced from PubChem (CID 53389088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).