5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol

C19H22N2O — CID 20536376

IUPAC5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
SMILESCc1ccc2c(c1)N1CCN(C)CC1c1ccccc1C2O
InChIInChI=1S/C19H22N2O/c1-13-7-8-16-17(11-13)21-10-9-20(2)12-18(21)14-5-3-4-6-15(14)19(16)22/h3-8,11,18-19,22H,9-10,12H2,1-2H3
InChIKeyNMBLVKZBYOZHTG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.88
Rot. Bonds

About 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol

5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol (PubChem CID 20536376) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol.

Molecular Properties

Compound Name5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
PubChem CID20536376
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
SMILESCc1ccc2c(c1)N1CCN(C)CC1c1ccccc1C2O
InChIInChI=1S/C19H22N2O/c1-13-7-8-16-17(11-13)21-10-9-20(2)12-18(21)14-5-3-4-6-15(14)19(16)22/h3-8,11,18-19,22H,9-10,12H2,1-2H3
InChIKeyNMBLVKZBYOZHTG-UHFFFAOYSA-N
XLogP2.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol?
The IUPAC name of 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol (CID 20536376) is 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol.
What is the SMILES notation for 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol?
The canonical SMILES for 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol is Cc1ccc2c(c1)N1CCN(C)CC1c1ccccc1C2O.
What is the InChIKey of 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol?
The InChIKey is NMBLVKZBYOZHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-7-8-16-17(11-13)21-10-9-20(2)12-18(21)14-5-3-4-6-15(14)19(16)22/h3-8,11,18-19,22H,9-10,12H2,1-2H3.
What are the key properties of 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol?
5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol has a molecular weight of 294.40 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol is sourced from PubChem (CID 20536376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).