6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol

C22H32N2O2 — CID 177142016

IUPAC6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol
SMILESCCC(C)CC1CC2c3[nH]c4cc(OC)ccc4c3CCN(C2C)C1O
InChIInChI=1S/C22H32N2O2/c1-5-13(2)10-15-11-19-14(3)24(22(15)25)9-8-18-17-7-6-16(26-4)12-20(17)23-21(18)19/h6-7,12-15,19,22-23,25H,5,8-11H2,1-4H3
InChIKeyLCQIPGDNTKNJFB-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.28
Rot. Bonds4

About 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol

6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol (PubChem CID 177142016) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol.

Molecular Properties

Compound Name6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol
PubChem CID177142016
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol
SMILESCCC(C)CC1CC2c3[nH]c4cc(OC)ccc4c3CCN(C2C)C1O
InChIInChI=1S/C22H32N2O2/c1-5-13(2)10-15-11-19-14(3)24(22(15)25)9-8-18-17-7-6-16(26-4)12-20(17)23-21(18)19/h6-7,12-15,19,22-23,25H,5,8-11H2,1-4H3
InChIKeyLCQIPGDNTKNJFB-UHFFFAOYSA-N
XLogP4.28
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol?
The IUPAC name of 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol (CID 177142016) is 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol.
What is the SMILES notation for 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol?
The canonical SMILES for 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol is CCC(C)CC1CC2c3[nH]c4cc(OC)ccc4c3CCN(C2C)C1O.
What is the InChIKey of 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol?
The InChIKey is LCQIPGDNTKNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-5-13(2)10-15-11-19-14(3)24(22(15)25)9-8-18-17-7-6-16(26-4)12-20(17)23-21(18)19/h6-7,12-15,19,22-23,25H,5,8-11H2,1-4H3.
What are the key properties of 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol?
6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol has a molecular weight of 356.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol is sourced from PubChem (CID 177142016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).