13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione

C26H18N2O2 — CID 11395174

IUPAC13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione
SMILESC=CCn1c2ccccc2c2c3c(c4cc5ccccc5cc4c21)C(=O)N(C)C3=O
InChIInChI=1S/C26H18N2O2/c1-3-12-28-20-11-7-6-10-17(20)21-23-22(25(29)27(2)26(23)30)18-13-15-8-4-5-9-16(15)14-19(18)24(21)28/h3-11,13-14H,1,12H2,2H3
InChIKeyCKKOIRGGQUBZRI-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.51
Rot. Bonds2

About 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione

13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione (PubChem CID 11395174) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione.

Molecular Properties

Compound Name13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione
PubChem CID11395174
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione
SMILESC=CCn1c2ccccc2c2c3c(c4cc5ccccc5cc4c21)C(=O)N(C)C3=O
InChIInChI=1S/C26H18N2O2/c1-3-12-28-20-11-7-6-10-17(20)21-23-22(25(29)27(2)26(23)30)18-13-15-8-4-5-9-16(15)14-19(18)24(21)28/h3-11,13-14H,1,12H2,2H3
InChIKeyCKKOIRGGQUBZRI-UHFFFAOYSA-N
XLogP5.51
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione?
The IUPAC name of 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione (CID 11395174) is 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione.
What is the SMILES notation for 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione?
The canonical SMILES for 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione is C=CCn1c2ccccc2c2c3c(c4cc5ccccc5cc4c21)C(=O)N(C)C3=O.
What is the InChIKey of 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione?
The InChIKey is CKKOIRGGQUBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c1-3-12-28-20-11-7-6-10-17(20)21-23-22(25(29)27(2)26(23)30)18-13-15-8-4-5-9-16(15)14-19(18)24(21)28/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione?
13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione has a molecular weight of 390.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione is sourced from PubChem (CID 11395174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).