16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one

C17H12N2O2 — CID 11832657

IUPAC16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
SMILESCOc1cc2ccnc3c2c(c1N)-c1ccccc1C3=O
InChIInChI=1S/C17H12N2O2/c1-21-12-8-9-6-7-19-16-13(9)14(15(12)18)10-4-2-3-5-11(10)17(16)20/h2-8H,18H2,1H3
InChIKeyNVXRXLMYVLNDKS-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.04
Rot. Bonds1

About 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one

16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one (PubChem CID 11832657) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one.

Molecular Properties

Compound Name16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
PubChem CID11832657
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
SMILESCOc1cc2ccnc3c2c(c1N)-c1ccccc1C3=O
InChIInChI=1S/C17H12N2O2/c1-21-12-8-9-6-7-19-16-13(9)14(15(12)18)10-4-2-3-5-11(10)17(16)20/h2-8H,18H2,1H3
InChIKeyNVXRXLMYVLNDKS-UHFFFAOYSA-N
XLogP3.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The IUPAC name of 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one (CID 11832657) is 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one.
What is the SMILES notation for 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The canonical SMILES for 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one is COc1cc2ccnc3c2c(c1N)-c1ccccc1C3=O.
What is the InChIKey of 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The InChIKey is NVXRXLMYVLNDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-21-12-8-9-6-7-19-16-13(9)14(15(12)18)10-4-2-3-5-11(10)17(16)20/h2-8H,18H2,1H3.
What are the key properties of 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one has a molecular weight of 276.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one is sourced from PubChem (CID 11832657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).