(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione

C20H16N4O3 — CID 162397206

IUPAC(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione
SMILESCn1c(=O)n2n(c1=O)[C@H]1c3ccccc3C=C[C@H]1N(c1ccccc1)C2=O
InChIInChI=1S/C20H16N4O3/c1-21-18(25)23-17-15-10-6-5-7-13(15)11-12-16(17)22(14-8-3-2-4-9-14)20(27)24(23)19(21)26/h2-12,16-17H,1H3/t16-,17+/m1/s1
InChIKeyVTGFZJMLJMFOTI-SJORKVTESA-N
MW360.37 g/mol
LogP1.82
Rot. Bonds1

About (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione

(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione (PubChem CID 162397206) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione.

Molecular Properties

Compound Name(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione
PubChem CID162397206
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione
SMILESCn1c(=O)n2n(c1=O)[C@H]1c3ccccc3C=C[C@H]1N(c1ccccc1)C2=O
InChIInChI=1S/C20H16N4O3/c1-21-18(25)23-17-15-10-6-5-7-13(15)11-12-16(17)22(14-8-3-2-4-9-14)20(27)24(23)19(21)26/h2-12,16-17H,1H3/t16-,17+/m1/s1
InChIKeyVTGFZJMLJMFOTI-SJORKVTESA-N
XLogP1.82
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione?
The IUPAC name of (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione (CID 162397206) is (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione.
What is the SMILES notation for (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione?
The canonical SMILES for (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione is Cn1c(=O)n2n(c1=O)[C@H]1c3ccccc3C=C[C@H]1N(c1ccccc1)C2=O.
What is the InChIKey of (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione?
The InChIKey is VTGFZJMLJMFOTI-SJORKVTESA-N. The full InChI is InChI=1S/C20H16N4O3/c1-21-18(25)23-17-15-10-6-5-7-13(15)11-12-16(17)22(14-8-3-2-4-9-14)20(27)24(23)19(21)26/h2-12,16-17H,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione?
(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione has a molecular weight of 360.37 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,8-tetraene-12,14,16-trione is sourced from PubChem (CID 162397206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).