(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

C26H20N4O3 — CID 27809273

IUPAC(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21
InChIInChI=1S/C26H20N4O3/c31-24(28-17-10-3-1-4-11-17)23-21-20(22-19-14-8-7-9-16(19)15-27-30(22)23)25(32)29(26(21)33)18-12-5-2-6-13-18/h1-15,20-23H,(H,28,31)/t20-,21+,22-,23-/m1/s1
InChIKeyLOKZOBQZSBEFGP-KAOXLYBCSA-N
MW436.47 g/mol
LogP3.20
Rot. Bonds3

About (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (PubChem CID 27809273) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

Molecular Properties

Compound Name(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
PubChem CID27809273
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21
InChIInChI=1S/C26H20N4O3/c31-24(28-17-10-3-1-4-11-17)23-21-20(22-19-14-8-7-9-16(19)15-27-30(22)23)25(32)29(26(21)33)18-12-5-2-6-13-18/h1-15,20-23H,(H,28,31)/t20-,21+,22-,23-/m1/s1
InChIKeyLOKZOBQZSBEFGP-KAOXLYBCSA-N
XLogP3.20
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide with MolForge

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Related Compounds

14-(4-methoxyphenyl)-13,15-dioxo-N-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3940996
N-(4-chlorophenyl)-14-(4-fluorophenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3811635
14-naphthalen-1-yl-13,15-dioxo-N-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3922790
(1S,11R,12S,16S)-N-(4-chlorophenyl)-14-(3-nitrophenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 51556061
N-(4-chlorophenyl)-14-(3-nitrophenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3850163
(1S,11R,12S,16R)-N-(4-chlorophenyl)-14-naphthalen-1-yl-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 98156258
(1R,11R,12R,16S)-N-(4-chlorophenyl)-14-(2,4-dimethylphenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 124793362
(1S,11R,12S,16S)-11-acetyl-14-(4-fluorophenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 98206695
11-(2,2-dimethylpropanoyl)-14-(4-methylphenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 3587362
(1S,11R,12S,16R)-11-(2,2-dimethylpropanoyl)-14-(4-methylphenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 11906403
(1S,11S,12R,16R)-11-(2,2-dimethylpropanoyl)-14-(4-methylphenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 6579862
(1R,11S,12R,16S)-11-benzoyl-14-(3-chlorophenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 100849428

Frequently Asked Questions

What is the IUPAC name of (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?
The IUPAC name of (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (CID 27809273) is (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.
What is the SMILES notation for (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?
The canonical SMILES for (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21.
What is the InChIKey of (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?
The InChIKey is LOKZOBQZSBEFGP-KAOXLYBCSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-24(28-17-10-3-1-4-11-17)23-21-20(22-19-14-8-7-9-16(19)15-27-30(22)23)25(32)29(26(21)33)18-12-5-2-6-13-18/h1-15,20-23H,(H,28,31)/t20-,21+,22-,23-/m1/s1.
What are the key properties of (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?
(1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R,12S,16R)-13,15-dioxo-N,14-diphenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is sourced from PubChem (CID 27809273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).