11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine

C19H17N3 — CID 134949882

IUPAC11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3CCc3nccnc32)cc1
InChIInChI=1S/C19H17N3/c1-14-6-9-16(10-7-14)22-18-5-3-2-4-15(18)8-11-17-19(22)21-13-12-20-17/h2-7,9-10,12-13H,8,11H2,1H3
InChIKeyPLIJWDJJUPGASH-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.35
Rot. Bonds1

About 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine

11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine (PubChem CID 134949882) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine.

Molecular Properties

Compound Name11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine
PubChem CID134949882
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3CCc3nccnc32)cc1
InChIInChI=1S/C19H17N3/c1-14-6-9-16(10-7-14)22-18-5-3-2-4-15(18)8-11-17-19(22)21-13-12-20-17/h2-7,9-10,12-13H,8,11H2,1H3
InChIKeyPLIJWDJJUPGASH-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)aniline
CID 59935116
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
2,13-bis(4-methylphenyl)-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 58462208
3-methyl-11-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572810
8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
CID 158800879
4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 12733822
11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 22085698
3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline
CID 142462542
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251

Frequently Asked Questions

What is the IUPAC name of 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine?
The IUPAC name of 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine (CID 134949882) is 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine.
What is the SMILES notation for 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine?
The canonical SMILES for 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine is Cc1ccc(N2c3ccccc3CCc3nccnc32)cc1.
What is the InChIKey of 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine?
The InChIKey is PLIJWDJJUPGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-14-6-9-16(10-7-14)22-18-5-3-2-4-15(18)8-11-17-19(22)21-13-12-20-17/h2-7,9-10,12-13H,8,11H2,1H3.
What are the key properties of 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine?
11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine has a molecular weight of 287.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine is sourced from PubChem (CID 134949882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).