11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one

C24H26N4O — CID 166161712

IUPAC11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
SMILESO=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CCc1ccccc1
InChIInChI=1S/C24H26N4O/c29-23-21-18-26(17-20-9-5-2-6-10-20)13-12-22(21)28-16-15-27(24(28)25-23)14-11-19-7-3-1-4-8-19/h1-10H,11-18H2
InChIKeyJYLBPQXTYDSPKD-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.86
Rot. Bonds5

About 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one

11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one (PubChem CID 166161712) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one.

Molecular Properties

Compound Name11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
PubChem CID166161712
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
SMILESO=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CCc1ccccc1
InChIInChI=1S/C24H26N4O/c29-23-21-18-26(17-20-9-5-2-6-10-20)13-12-22(21)28-16-15-27(24(28)25-23)14-11-19-7-3-1-4-8-19/h1-10H,11-18H2
InChIKeyJYLBPQXTYDSPKD-UHFFFAOYSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one with MolForge

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Related Compounds

Dordaviprone
CID 73777259
Onc-206
CID 135297777
11-Benzyl-5-[(3-bromo-4-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161683
11-Benzyl-5-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161687
Onc212
CID 124085867
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one
CID 336423
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
11-Benzyl-5-[(3-chlorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161653
2-[[5-[(2-Methylphenyl)methyl]-8-oxo-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-11-yl]methyl]benzonitrile
CID 166161659
11-Benzyl-5-[(4-chlorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161662
11-Benzyl-5-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161665

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one?
The IUPAC name of 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one (CID 166161712) is 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one.
What is the SMILES notation for 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one?
The canonical SMILES for 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one is O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CCc1ccccc1.
What is the InChIKey of 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one?
The InChIKey is JYLBPQXTYDSPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-23-21-18-26(17-20-9-5-2-6-10-20)13-12-22(21)28-16-15-27(24(28)25-23)14-11-19-7-3-1-4-8-19/h1-10H,11-18H2.
What are the key properties of 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one?
11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one has a molecular weight of 386.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one is sourced from PubChem (CID 166161712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).