9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine

C19H23N3 — CID 11392229

IUPAC9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine
SMILESCc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1
InChIInChI=1S/C19H23N3/c1-15-7-8-18-19(21-11-9-20(2)10-12-21)13-16-5-3-4-6-17(16)14-22(15)18/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKCHOGJMXHYZZSG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds1

About 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine

9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine (PubChem CID 11392229) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine.

Molecular Properties

Compound Name9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine
PubChem CID11392229
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine
SMILESCc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1
InChIInChI=1S/C19H23N3/c1-15-7-8-18-19(21-11-9-20(2)10-12-21)13-16-5-3-4-6-17(16)14-22(15)18/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKCHOGJMXHYZZSG-UHFFFAOYSA-N
XLogP2.90
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine?
The IUPAC name of 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine (CID 11392229) is 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine.
What is the SMILES notation for 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine?
The canonical SMILES for 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine is Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1.
What is the InChIKey of 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine?
The InChIKey is KCHOGJMXHYZZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-15-7-8-18-19(21-11-9-20(2)10-12-21)13-16-5-3-4-6-17(16)14-22(15)18/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine?
9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine has a molecular weight of 293.41 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrrolo[1,2-b][2]benzazepine is sourced from PubChem (CID 11392229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).