Serazapine Hydrochloride

C22H24ClN3O2 — CID 60676

IUPACmethyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate;hydrochloride
SMILESCN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-23-11-12-24-17-9-5-3-7-15(17)13-25-18-10-6-4-8-16(18)20(22(26)27-2)21(25)19(24)14-23;/h3-10,19H,11-14H2,1-2H3;1H
InChIKeyYEITZTKANLXOTH-UHFFFAOYSA-N
MW397.90 g/mol
LogP—
Rot. Bonds2

About Serazapine Hydrochloride

Serazapine Hydrochloride (PubChem CID 60676) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.90 g/mol. Its IUPAC name is methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate;hydrochloride.

Molecular Properties

Compound NameSerazapine Hydrochloride
PubChem CID60676
Molecular FormulaC22H24ClN3O2
Molecular Weight397.90 g/mol
Exact Mass397.16
IUPAC Namemethyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate;hydrochloride
SMILESCN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-23-11-12-24-17-9-5-3-7-15(17)13-25-18-10-6-4-8-16(18)20(22(26)27-2)21(25)19(24)14-23;/h3-10,19H,11-14H2,1-2H3;1H
InChIKeyYEITZTKANLXOTH-UHFFFAOYSA-N
XLogP—
TPSA37.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity570

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
Methyl 2-methyl-4-phenyl-3-quinolinecarboxylate
CID 1215170
Serazapine
CID 60677
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-methylpropyl)quinoline-4-carboxylate
CID 44340582
methyl 1-(4-fluorobenzyl)-1H-indole-3-carboxylate
CID 951976
13-Cyclohexyl-5-methyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 11994886
13-Cyclohexyl-5-(2-dimethylaminoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 11994888
13-Cyclohexyl-5-[2-(1-piperidyl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 11994889
13-Cyclohexyl-5-isopropyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 11995125
Methyl 9-[3-[3-(dimethylcarbamoyl)-1-piperidyl]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397329
ethyl 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate
CID 57402501
4-Phenylfuro[3,4-c]quinoline-1,3-dione
CID 370369

Frequently Asked Questions

What is the IUPAC name of Serazapine Hydrochloride?
The IUPAC name of Serazapine Hydrochloride (CID 60676) is methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate;hydrochloride.
What is the SMILES notation for Serazapine Hydrochloride?
The canonical SMILES for Serazapine Hydrochloride is CN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC.Cl.
What is the InChIKey of Serazapine Hydrochloride?
The InChIKey is YEITZTKANLXOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-23-11-12-24-17-9-5-3-7-15(17)13-25-18-10-6-4-8-16(18)20(22(26)27-2)21(25)19(24)14-23;/h3-10,19H,11-14H2,1-2H3;1H.
What are the key properties of Serazapine Hydrochloride?
Serazapine Hydrochloride has a molecular weight of 397.90 g/mol, XLogP of not available, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Serazapine Hydrochloride is sourced from PubChem (CID 60676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).