3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine

C19H20FN3 — CID 69035846

IUPAC3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine
SMILESCN1CCN(C2=NC3=CC(F)=CCC3=Cc3ccccc32)CC1
InChIInChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-5,7,12-13H,6,8-11H2,1H3
InChIKeyARMUZSLNPGJYIV-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.22
Rot. Bonds

About 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine

3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine (PubChem CID 69035846) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine
PubChem CID69035846
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine
SMILESCN1CCN(C2=NC3=CC(F)=CCC3=Cc3ccccc32)CC1
InChIInChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-5,7,12-13H,6,8-11H2,1H3
InChIKeyARMUZSLNPGJYIV-UHFFFAOYSA-N
XLogP3.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine?
The IUPAC name of 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine (CID 69035846) is 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine.
What is the SMILES notation for 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine?
The canonical SMILES for 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine is CN1CCN(C2=NC3=CC(F)=CCC3=Cc3ccccc32)CC1.
What is the InChIKey of 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine?
The InChIKey is ARMUZSLNPGJYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-5,7,12-13H,6,8-11H2,1H3.
What are the key properties of 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine?
3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine has a molecular weight of 309.39 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzo[c][1]benzazepine is sourced from PubChem (CID 69035846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).