10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

C19H24N2O2 — CID 142159900

IUPAC10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
SMILESCNc1cc(=O)oc2c3c4c(cc12)C(C)CCN4CCC3(C)C
InChIInChI=1S/C19H24N2O2/c1-11-5-7-21-8-6-19(2,3)16-17(21)12(11)9-13-14(20-4)10-15(22)23-18(13)16/h9-11,20H,5-8H2,1-4H3
InChIKeyRXPWXTOYXJCXPT-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.83
Rot. Bonds1

About 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (PubChem CID 142159900) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.

Molecular Properties

Compound Name10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
PubChem CID142159900
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
SMILESCNc1cc(=O)oc2c3c4c(cc12)C(C)CCN4CCC3(C)C
InChIInChI=1S/C19H24N2O2/c1-11-5-7-21-8-6-19(2,3)16-17(21)12(11)9-13-14(20-4)10-15(22)23-18(13)16/h9-11,20H,5-8H2,1-4H3
InChIKeyRXPWXTOYXJCXPT-UHFFFAOYSA-N
XLogP3.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The IUPAC name of 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (CID 142159900) is 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.
What is the SMILES notation for 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The canonical SMILES for 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is CNc1cc(=O)oc2c3c4c(cc12)C(C)CCN4CCC3(C)C.
What is the InChIKey of 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The InChIKey is RXPWXTOYXJCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11-5-7-21-8-6-19(2,3)16-17(21)12(11)9-13-14(20-4)10-15(22)23-18(13)16/h9-11,20H,5-8H2,1-4H3.
What are the key properties of 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one has a molecular weight of 312.41 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16,16-trimethyl-6-(methylamino)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is sourced from PubChem (CID 142159900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).