(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one

C21H22N2O — CID 90254148

IUPAC(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
SMILESCc1cn2c3c(c(=O)nc2c2ccccc12)[C@@H]1CCC3(C)C1(C)C
InChIInChI=1S/C21H22N2O/c1-12-11-23-17-16(15-9-10-21(17,4)20(15,2)3)19(24)22-18(23)14-8-6-5-7-13(12)14/h5-8,11,15H,9-10H2,1-4H3/t15-,21?/m0/s1
InChIKeyDKMUNVFRHHGVPU-ZDGMYTEDSA-N
MW318.42 g/mol
LogP4.33
Rot. Bonds

About (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one

(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one (PubChem CID 90254148) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one.

Molecular Properties

Compound Name(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
PubChem CID90254148
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
SMILESCc1cn2c3c(c(=O)nc2c2ccccc12)[C@@H]1CCC3(C)C1(C)C
InChIInChI=1S/C21H22N2O/c1-12-11-23-17-16(15-9-10-21(17,4)20(15,2)3)19(24)22-18(23)14-8-6-5-7-13(12)14/h5-8,11,15H,9-10H2,1-4H3/t15-,21?/m0/s1
InChIKeyDKMUNVFRHHGVPU-ZDGMYTEDSA-N
XLogP4.33
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The IUPAC name of (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one (CID 90254148) is (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one.
What is the SMILES notation for (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The canonical SMILES for (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one is Cc1cn2c3c(c(=O)nc2c2ccccc12)[C@@H]1CCC3(C)C1(C)C.
What is the InChIKey of (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The InChIKey is DKMUNVFRHHGVPU-ZDGMYTEDSA-N. The full InChI is InChI=1S/C21H22N2O/c1-12-11-23-17-16(15-9-10-21(17,4)20(15,2)3)19(24)22-18(23)14-8-6-5-7-13(12)14/h5-8,11,15H,9-10H2,1-4H3/t15-,21?/m0/s1.
What are the key properties of (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one has a molecular weight of 318.42 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one is sourced from PubChem (CID 90254148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).