12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one

C19H20N2O — CID 90254184

IUPAC12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
SMILESCC1(C)CC(C)(C)c2c1c(=O)nc1c3ccccc3ccn21
InChIInChI=1S/C19H20N2O/c1-18(2)11-19(3,4)15-14(18)17(22)20-16-13-8-6-5-7-12(13)9-10-21(15)16/h5-10H,11H2,1-4H3
InChIKeyNDPQIBZBBCWBJA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.81
Rot. Bonds

About 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one

12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one (PubChem CID 90254184) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one.

Molecular Properties

Compound Name12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
PubChem CID90254184
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
SMILESCC1(C)CC(C)(C)c2c1c(=O)nc1c3ccccc3ccn21
InChIInChI=1S/C19H20N2O/c1-18(2)11-19(3,4)15-14(18)17(22)20-16-13-8-6-5-7-12(13)9-10-21(15)16/h5-10H,11H2,1-4H3
InChIKeyNDPQIBZBBCWBJA-UHFFFAOYSA-N
XLogP3.81
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The IUPAC name of 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one (CID 90254184) is 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one.
What is the SMILES notation for 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The canonical SMILES for 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one is CC1(C)CC(C)(C)c2c1c(=O)nc1c3ccccc3ccn21.
What is the InChIKey of 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The InChIKey is NDPQIBZBBCWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-18(2)11-19(3,4)15-14(18)17(22)20-16-13-8-6-5-7-12(13)9-10-21(15)16/h5-10H,11H2,1-4H3.
What are the key properties of 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one has a molecular weight of 292.38 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one is sourced from PubChem (CID 90254184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).