15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol

C17H20N4O — CID 59146520

IUPAC15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol
SMILESCCCN1CC(C)(O)Cn2c1nc1cnc3ccccc3c12
InChIInChI=1S/C17H20N4O/c1-3-8-20-10-17(2,22)11-21-15-12-6-4-5-7-13(12)18-9-14(15)19-16(20)21/h4-7,9,22H,3,8,10-11H2,1-2H3
InChIKeyCSAJLQQGJHAVJO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds2

About 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol

15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol (PubChem CID 59146520) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol.

Molecular Properties

Compound Name15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol
PubChem CID59146520
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol
SMILESCCCN1CC(C)(O)Cn2c1nc1cnc3ccccc3c12
InChIInChI=1S/C17H20N4O/c1-3-8-20-10-17(2,22)11-21-15-12-6-4-5-7-13(12)18-9-14(15)19-16(20)21/h4-7,9,22H,3,8,10-11H2,1-2H3
InChIKeyCSAJLQQGJHAVJO-UHFFFAOYSA-N
XLogP2.57
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol?
The IUPAC name of 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol (CID 59146520) is 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol.
What is the SMILES notation for 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol?
The canonical SMILES for 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol is CCCN1CC(C)(O)Cn2c1nc1cnc3ccccc3c12.
What is the InChIKey of 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol?
The InChIKey is CSAJLQQGJHAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-8-20-10-17(2,22)11-21-15-12-6-4-5-7-13(12)18-9-14(15)19-16(20)21/h4-7,9,22H,3,8,10-11H2,1-2H3.
What are the key properties of 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol?
15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol has a molecular weight of 296.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-13-propyl-8,11,13,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-15-ol is sourced from PubChem (CID 59146520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).