(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione

C17H19N3O2 — CID 10803956

IUPAC(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione
SMILESCC1=C(C)[C@H]2c3cc(C)c(C)cc3[C@@H]1n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C17H19N3O2/c1-8-6-12-13(7-9(8)2)15-11(4)10(3)14(12)19-16(21)18(5)17(22)20(15)19/h6-7,14-15H,1-5H3/t14-,15+
InChIKeyREDFTPBBMCFMGT-GASCZTMLSA-N
MW297.36 g/mol
LogP1.81
Rot. Bonds

About (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione

(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione (PubChem CID 10803956) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione.

Molecular Properties

Compound Name(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione
PubChem CID10803956
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione
SMILESCC1=C(C)[C@H]2c3cc(C)c(C)cc3[C@@H]1n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C17H19N3O2/c1-8-6-12-13(7-9(8)2)15-11(4)10(3)14(12)19-16(21)18(5)17(22)20(15)19/h6-7,14-15H,1-5H3/t14-,15+
InChIKeyREDFTPBBMCFMGT-GASCZTMLSA-N
XLogP1.81
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione with MolForge

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Related Compounds

11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
CID 132572192
(2S,15R)-25-methyl-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3,5,7,9,11,13,17,19,21-nonaene-24,26-dione
CID 176434429
(2S,19R)-29-methyl-27,29,31-triazaoctacyclo[18.6.5.02,19.03,12.06,11.013,18.021,26.027,31]hentriaconta-3(12),4,6,8,10,13,15,17,21,23,25-undecaene-28,30-dione
CID 176434431
15-Methyl-13,15,17-triazapentacyclo[10.5.2.02,11.03,8.013,17]nonadeca-2(11),3,5,7,9-pentaene-14,16-dione
CID 177854109
(2S,15R)-25-methyl-18-phenyl-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3,5,7,9,11,13,17,19,21-nonaene-24,26-dione
CID 177854224
(2S,15R)-29-methyl-27,29,31-triazaoctacyclo[14.10.5.02,15.03,8.09,14.017,26.018,23.027,31]hentriaconta-3,5,7,9,11,13,17(26),18,20,22,24-undecaene-28,30-dione
CID 177854225
2,4,6-Triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-methyl-1,7-diphenyl-
CID 616067
17-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 156260094
17-Methyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2802753
17-(2,2-Dimethylpropyl)-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2802754
(1R,7S)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10378382

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione?
The IUPAC name of (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione (CID 10803956) is (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione.
What is the SMILES notation for (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione?
The canonical SMILES for (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione is CC1=C(C)[C@H]2c3cc(C)c(C)cc3[C@@H]1n1c(=O)n(C)c(=O)n12.
What is the InChIKey of (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione?
The InChIKey is REDFTPBBMCFMGT-GASCZTMLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-8-6-12-13(7-9(8)2)15-11(4)10(3)14(12)19-16(21)18(5)17(22)20(15)19/h6-7,14-15H,1-5H3/t14-,15+.
What are the key properties of (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione?
(1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione has a molecular weight of 297.36 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-4,5,11,14,15-pentamethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione is sourced from PubChem (CID 10803956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).