8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine

C24H23ClN4O — CID 56964794

IUPAC8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine
SMILESClc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2
InChIInChI=1S/C24H23ClN4O/c25-19-8-9-22-21(17-19)27-23(20-7-4-11-26-24(20)30-22)29-15-13-28(14-16-29)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2
InChIKeyKMWUPPLGFWGMEM-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.78
Rot. Bonds3

About 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine

8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine (PubChem CID 56964794) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine.

Molecular Properties

Compound Name8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine
PubChem CID56964794
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine
SMILESClc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2
InChIInChI=1S/C24H23ClN4O/c25-19-8-9-22-21(17-19)27-23(20-7-4-11-26-24(20)30-22)29-15-13-28(14-16-29)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2
InChIKeyKMWUPPLGFWGMEM-UHFFFAOYSA-N
XLogP4.78
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine with MolForge

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Related Compounds

JL 13
CID 6443209
8-Chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
CID 188249
8-Methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
CID 10040938
6-(4-Methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
CID 10402195
8-Chloro-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
CID 11724078
1-[(4-Chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 56658931
8-Chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine
CID 56964693
5-(4-Benzylpiperazin-1-yl)-8-chloropyrido[2,3-b][1,5]benzoxazepine
CID 57326583
8-Chloro-5-(4-cyclohexylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
CID 57326584
2-[2-[4-(8-Chloropyrido[2,3-b][1,5]benzoxazepin-5-yl)piperazin-1-yl]ethoxy]ethanol
CID 57326586
8-chloro-N-(1-methylpiperidin-4-yl)-6H-pyrido[2,3-b][1,5]benzoxazepin-5-imine
CID 136020081
N-(1-benzylpiperidin-4-yl)-8-chloro-6H-pyrido[2,3-b][1,5]benzoxazepin-5-imine
CID 136020082

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine?
The IUPAC name of 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine (CID 56964794) is 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine.
What is the SMILES notation for 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine?
The canonical SMILES for 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine is Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2.
What is the InChIKey of 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine?
The InChIKey is KMWUPPLGFWGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-19-8-9-22-21(17-19)27-23(20-7-4-11-26-24(20)30-22)29-15-13-28(14-16-29)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2.
What are the key properties of 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine?
8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine has a molecular weight of 418.93 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine is sourced from PubChem (CID 56964794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).