(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

C24H26N4O — CID 16739807

IUPAC(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
SMILESCc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1
InChIInChI=1S/C24H26N4O/c1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3-
InChIKeyKEQKYXVIVJFQSZ-ARJAWSKDSA-N
MW386.50 g/mol
LogP4.97
Rot. Bonds

About (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene (PubChem CID 16739807) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene.

Molecular Properties

Compound Name(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
PubChem CID16739807
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
SMILESCc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1
InChIInChI=1S/C24H26N4O/c1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3-
InChIKeyKEQKYXVIVJFQSZ-ARJAWSKDSA-N
XLogP4.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene?
The IUPAC name of (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene (CID 16739807) is (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene.
What is the SMILES notation for (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene?
The canonical SMILES for (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene is Cc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C\CCOc1cccc-2c1.
What is the InChIKey of (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene?
The InChIKey is KEQKYXVIVJFQSZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-14-23-20-9-7-11-22(16-20)29-13-5-3-4-12-28(2)17-19-8-6-10-21(15-19)26-24(25-18)27-23/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3-.
What are the key properties of (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene?
(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene has a molecular weight of 386.50 g/mol, XLogP of 4.97, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene is sourced from PubChem (CID 16739807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).