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

C21H15N3O2 — CID 154585288

IUPAC14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(ccc3ccccc13)O2
InChIInChI=1S/C21H15N3O2/c22-21-23-19(25)18-16(13-7-2-1-3-8-13)17-14-9-5-4-6-12(14)10-11-15(17)26-20(18)24-21/h1-11,16H,(H3,22,23,24,25)
InChIKeyGXIRTIFLXFLTSX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.79
Rot. Bonds1

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

14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (PubChem CID 154585288) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
PubChem CID154585288
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(ccc3ccccc13)O2
InChIInChI=1S/C21H15N3O2/c22-21-23-19(25)18-16(13-7-2-1-3-8-13)17-14-9-5-4-6-12(14)10-11-15(17)26-20(18)24-21/h1-11,16H,(H3,22,23,24,25)
InChIKeyGXIRTIFLXFLTSX-UHFFFAOYSA-N
XLogP3.79
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The IUPAC name of 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (CID 154585288) is 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The canonical SMILES for 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is Nc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(ccc3ccccc13)O2.
What is the InChIKey of 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The InChIKey is GXIRTIFLXFLTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c22-21-23-19(25)18-16(13-7-2-1-3-8-13)17-14-9-5-4-6-12(14)10-11-15(17)26-20(18)24-21/h1-11,16H,(H3,22,23,24,25).
What are the key properties of 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one has a molecular weight of 341.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-amino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 154585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).