4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one

C16H20N2O2 — CID 14038171

IUPAC4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one
SMILESCOc1ccc2c(c1)C13CCCCC1(NC(=O)C3)N2C
InChIInChI=1S/C16H20N2O2/c1-18-13-6-5-11(20-2)9-12(13)15-7-3-4-8-16(15,18)17-14(19)10-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIUFFNSKMDFRGJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds1

About 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one

4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one (PubChem CID 14038171) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one.

Molecular Properties

Compound Name4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one
PubChem CID14038171
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one
SMILESCOc1ccc2c(c1)C13CCCCC1(NC(=O)C3)N2C
InChIInChI=1S/C16H20N2O2/c1-18-13-6-5-11(20-2)9-12(13)15-7-3-4-8-16(15,18)17-14(19)10-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIUFFNSKMDFRGJU-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one?
The IUPAC name of 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one (CID 14038171) is 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one.
What is the SMILES notation for 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one?
The canonical SMILES for 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one is COc1ccc2c(c1)C13CCCCC1(NC(=O)C3)N2C.
What is the InChIKey of 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one?
The InChIKey is IUFFNSKMDFRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-13-6-5-11(20-2)9-12(13)15-7-3-4-8-16(15,18)17-14(19)10-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one?
4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one has a molecular weight of 272.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one is sourced from PubChem (CID 14038171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).