14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one

C18H17NO — CID 23263886

IUPAC14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one
SMILESCCN1c2cccc3c2C(c2ccccc2C3=O)C1C
InChIInChI=1S/C18H17NO/c1-3-19-11(2)16-12-7-4-5-8-13(12)18(20)14-9-6-10-15(19)17(14)16/h4-11,16H,3H2,1-2H3
InChIKeyRZCXCOWZQQPWSP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.59
Rot. Bonds1

About 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one

14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one (PubChem CID 23263886) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one.

Molecular Properties

Compound Name14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one
PubChem CID23263886
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one
SMILESCCN1c2cccc3c2C(c2ccccc2C3=O)C1C
InChIInChI=1S/C18H17NO/c1-3-19-11(2)16-12-7-4-5-8-13(12)18(20)14-9-6-10-15(19)17(14)16/h4-11,16H,3H2,1-2H3
InChIKeyRZCXCOWZQQPWSP-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one?
The IUPAC name of 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one (CID 23263886) is 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one.
What is the SMILES notation for 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one?
The canonical SMILES for 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one is CCN1c2cccc3c2C(c2ccccc2C3=O)C1C.
What is the InChIKey of 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one?
The InChIKey is RZCXCOWZQQPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-19-11(2)16-12-7-4-5-8-13(12)18(20)14-9-6-10-15(19)17(14)16/h4-11,16H,3H2,1-2H3.
What are the key properties of 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one?
14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one has a molecular weight of 263.34 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one is sourced from PubChem (CID 23263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).