3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate

C24H25N3O2S — CID 110174278

IUPAC3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate
SMILESO=C(OCCCN1CCCCC1)N1c2ccccc2Sc2cc3ccccc3nc21
InChIInChI=1S/C24H25N3O2S/c28-24(29-16-8-15-26-13-6-1-7-14-26)27-20-11-4-5-12-21(20)30-22-17-18-9-2-3-10-19(18)25-23(22)27/h2-5,9-12,17H,1,6-8,13-16H2
InChIKeyBFIDXOQHFSGNQV-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.85
Rot. Bonds4

About 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate

3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate (PubChem CID 110174278) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate
PubChem CID110174278
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate
SMILESO=C(OCCCN1CCCCC1)N1c2ccccc2Sc2cc3ccccc3nc21
InChIInChI=1S/C24H25N3O2S/c28-24(29-16-8-15-26-13-6-1-7-14-26)27-20-11-4-5-12-21(20)30-22-17-18-9-2-3-10-19(18)25-23(22)27/h2-5,9-12,17H,1,6-8,13-16H2
InChIKeyBFIDXOQHFSGNQV-UHFFFAOYSA-N
XLogP5.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.85
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

3-piperidin-1-ium-1-ylpropyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate chloride
CID 110173971
1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone;2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
CID 69399566
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
2-methoxyethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177451
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
CID 130345824
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
3-[bis(prop-2-enyl)amino]propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
CID 3048190
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177397
1-(4-phenothiazin-10-ylbutyl)piperidine-4-carboxylic acid
CID 50852383
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate?
The IUPAC name of 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate (CID 110174278) is 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate.
What is the SMILES notation for 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate?
The canonical SMILES for 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate is O=C(OCCCN1CCCCC1)N1c2ccccc2Sc2cc3ccccc3nc21.
What is the InChIKey of 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate?
The InChIKey is BFIDXOQHFSGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-24(29-16-8-15-26-13-6-1-7-14-26)27-20-11-4-5-12-21(20)30-22-17-18-9-2-3-10-19(18)25-23(22)27/h2-5,9-12,17H,1,6-8,13-16H2.
What are the key properties of 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate?
3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate has a molecular weight of 419.55 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate is sourced from PubChem (CID 110174278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).