dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate

C23H24N2O4 — CID 134864541

IUPACdimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)N2Cc3cc(C)ccc3N(C1)Cc1cc(C)ccc12
InChIInChI=1S/C23H24N2O4/c1-14-5-7-19-17(10-14)12-25-20-8-6-15(2)9-16(20)11-24(19)13-18(22(26)28-3)21(25)23(27)29-4/h5-10H,11-13H2,1-4H3/b21-18+
InChIKeyBCRXTHQLQYWEMM-DYTRJAOYSA-N
MW392.46 g/mol
LogP3.24
Rot. Bonds2

About dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate

dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate (PubChem CID 134864541) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate.

Molecular Properties

Compound Namedimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate
PubChem CID134864541
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namedimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)N2Cc3cc(C)ccc3N(C1)Cc1cc(C)ccc12
InChIInChI=1S/C23H24N2O4/c1-14-5-7-19-17(10-14)12-25-20-8-6-15(2)9-16(20)11-24(19)13-18(22(26)28-3)21(25)23(27)29-4/h5-10H,11-13H2,1-4H3/b21-18+
InChIKeyBCRXTHQLQYWEMM-DYTRJAOYSA-N
XLogP3.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate?
The IUPAC name of dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate (CID 134864541) is dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate.
What is the SMILES notation for dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate?
The canonical SMILES for dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate is COC(=O)/C1=C(\C(=O)OC)N2Cc3cc(C)ccc3N(C1)Cc1cc(C)ccc12.
What is the InChIKey of dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate?
The InChIKey is BCRXTHQLQYWEMM-DYTRJAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-5-7-19-17(10-14)12-25-20-8-6-15(2)9-16(20)11-24(19)13-18(22(26)28-3)21(25)23(27)29-4/h5-10H,11-13H2,1-4H3/b21-18+.
What are the key properties of dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate?
dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (17E)-5,13-dimethyl-1,9-diazatetracyclo[7.7.3.02,7.010,15]nonadeca-2(7),3,5,10(15),11,13,17-heptaene-17,18-dicarboxylate is sourced from PubChem (CID 134864541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).