(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene

C22H26N2O2 — CID 135032092

IUPAC(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene
SMILESCOc1ccccc1N1CC[C@@H]2[C@H]3CCCN3c3c(OC)cccc3[C@@H]21
InChIInChI=1S/C22H26N2O2/c1-25-19-10-4-3-8-18(19)24-14-12-15-17-9-6-13-23(17)22-16(21(15)24)7-5-11-20(22)26-2/h3-5,7-8,10-11,15,17,21H,6,9,12-14H2,1-2H3/t15-,17-,21-/m1/s1
InChIKeyWRDWHCUSCFHCPK-QLVMHMETSA-N
MW350.46 g/mol
LogP4.25
Rot. Bonds3

About (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene

(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene (PubChem CID 135032092) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene.

Molecular Properties

Compound Name(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene
PubChem CID135032092
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene
SMILESCOc1ccccc1N1CC[C@@H]2[C@H]3CCCN3c3c(OC)cccc3[C@@H]21
InChIInChI=1S/C22H26N2O2/c1-25-19-10-4-3-8-18(19)24-14-12-15-17-9-6-13-23(17)22-16(21(15)24)7-5-11-20(22)26-2/h3-5,7-8,10-11,15,17,21H,6,9,12-14H2,1-2H3/t15-,17-,21-/m1/s1
InChIKeyWRDWHCUSCFHCPK-QLVMHMETSA-N
XLogP4.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene?
The IUPAC name of (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene (CID 135032092) is (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene.
What is the SMILES notation for (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene?
The canonical SMILES for (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene is COc1ccccc1N1CC[C@@H]2[C@H]3CCCN3c3c(OC)cccc3[C@@H]21.
What is the InChIKey of (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene?
The InChIKey is WRDWHCUSCFHCPK-QLVMHMETSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-19-10-4-3-8-18(19)24-14-12-15-17-9-6-13-23(17)22-16(21(15)24)7-5-11-20(22)26-2/h3-5,7-8,10-11,15,17,21H,6,9,12-14H2,1-2H3/t15-,17-,21-/m1/s1.
What are the key properties of (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene?
(6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene has a molecular weight of 350.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene is sourced from PubChem (CID 135032092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).