3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride

C19H24ClN3O2S — CID 3048118

IUPAC3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
SMILESCCN(CC)CCCOC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22;/h5-7,9-12H,3-4,8,13-14H2,1-2H3;1H
InChIKeyKJIRZZWEQYIDBK-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.97
Rot. Bonds6

About 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride

3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride (PubChem CID 3048118) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
PubChem CID3048118
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
SMILESCCN(CC)CCCOC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22;/h5-7,9-12H,3-4,8,13-14H2,1-2H3;1H
InChIKeyKJIRZZWEQYIDBK-UHFFFAOYSA-N
XLogP4.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Isothipendyl
CID 3781
Prothipendyl
CID 14670
Isothipendyl Hydrochloride
CID 14668
Pipazethate
CID 22425
Azaphenothiazine
CID 67496
Prothipendyl Hydrochloride
CID 14669
Pipazethate Hydrochloride
CID 22424
Oxypendyl
CID 168893
10-(2-propynyl)-10H-pyrido[3,2-b][1,4]benzothiazine
CID 1483729
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(methylamino)propyl)-
CID 3051459
10H-phenothiazin-10-yl[4-(pyridin-2-yl)piperazin-1-yl]methanone
CID 660379
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-((1-methyl-3-piperidyl)methyl)-
CID 3051463

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride?
The IUPAC name of 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride (CID 3048118) is 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride?
The canonical SMILES for 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride is CCN(CC)CCCOC(=O)N1c2ccccc2Sc2cccnc21.Cl.
What is the InChIKey of 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride?
The InChIKey is KJIRZZWEQYIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22;/h5-7,9-12H,3-4,8,13-14H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride?
3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride is sourced from PubChem (CID 3048118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).