3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene

C20H17NO2 — CID 134957315

IUPAC3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene
SMILESCc1nc2c3c(ccc4c3c1CCO4)OC(c1ccccc1)C2
InChIInChI=1S/C20H17NO2/c1-12-14-9-10-22-16-7-8-17-20(19(14)16)15(21-12)11-18(23-17)13-5-3-2-4-6-13/h2-8,18H,9-11H2,1H3
InChIKeyRPVZSRPPSOIEAQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.15
Rot. Bonds1

About 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene

3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene (PubChem CID 134957315) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene.

Molecular Properties

Compound Name3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene
PubChem CID134957315
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene
SMILESCc1nc2c3c(ccc4c3c1CCO4)OC(c1ccccc1)C2
InChIInChI=1S/C20H17NO2/c1-12-14-9-10-22-16-7-8-17-20(19(14)16)15(21-12)11-18(23-17)13-5-3-2-4-6-13/h2-8,18H,9-11H2,1H3
InChIKeyRPVZSRPPSOIEAQ-UHFFFAOYSA-N
XLogP4.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene?
The IUPAC name of 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene (CID 134957315) is 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene.
What is the SMILES notation for 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene?
The canonical SMILES for 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene is Cc1nc2c3c(ccc4c3c1CCO4)OC(c1ccccc1)C2.
What is the InChIKey of 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene?
The InChIKey is RPVZSRPPSOIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-12-14-9-10-22-16-7-8-17-20(19(14)16)15(21-12)11-18(23-17)13-5-3-2-4-6-13/h2-8,18H,9-11H2,1H3.
What are the key properties of 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene?
3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene has a molecular weight of 303.36 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-13-phenyl-7,12-dioxa-2-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene is sourced from PubChem (CID 134957315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).