10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

C21H17N3O2 — CID 71827262

IUPAC10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3ccccc3)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C21H17N3O2/c1-12(2)24-21-16(11-22-24)18(13-6-4-3-5-7-13)20-19(23-21)15-9-8-14(25)10-17(15)26-20/h3-12,22H,1-2H3
InChIKeyNSWKZOSZWHTBEJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.87
Rot. Bonds2

About 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 71827262) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID71827262
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3ccccc3)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C21H17N3O2/c1-12(2)24-21-16(11-22-24)18(13-6-4-3-5-7-13)20-19(23-21)15-9-8-14(25)10-17(15)26-20/h3-12,22H,1-2H3
InChIKeyNSWKZOSZWHTBEJ-UHFFFAOYSA-N
XLogP4.87
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 71827262) is 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is CC(C)n1[nH]cc2c(-c3ccccc3)c3oc4cc(=O)ccc4c3nc21.
What is the InChIKey of 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is NSWKZOSZWHTBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-12(2)24-21-16(11-22-24)18(13-6-4-3-5-7-13)20-19(23-21)15-9-8-14(25)10-17(15)26-20/h3-12,22H,1-2H3.
What are the key properties of 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 343.39 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 71827262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).