4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine

C17H14ClNOS — CID 175814201

IUPAC4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine
SMILESCCN1c2ccccc2Sc2cc3c(cc21)OCC=C3Cl
InChIInChI=1S/C17H14ClNOS/c1-2-19-13-5-3-4-6-16(13)21-17-9-11-12(18)7-8-20-15(11)10-14(17)19/h3-7,9-10H,2,8H2,1H3
InChIKeyCYQCEIYODWSEKK-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.28
Rot. Bonds1

About 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine

4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine (PubChem CID 175814201) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine.

Molecular Properties

Compound Name4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine
PubChem CID175814201
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine
SMILESCCN1c2ccccc2Sc2cc3c(cc21)OCC=C3Cl
InChIInChI=1S/C17H14ClNOS/c1-2-19-13-5-3-4-6-16(13)21-17-9-11-12(18)7-8-20-15(11)10-14(17)19/h3-7,9-10H,2,8H2,1H3
InChIKeyCYQCEIYODWSEKK-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174918286
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CID 69121329
(10-ethylphenothiazin-3-yl)methyl-triphenylphosphanium bromide
CID 127262669
10-ethylphenothiazine-2-carbothioamide
CID 174550563
2-cyano-3-(10-ethylphenothiazin-3-yl)prop-2-enamide
CID 157467296
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
3-bromo-10-butylphenothiazine
CID 118645925
5-ethyl-3-methylbenzo[b][1,4]benzothiazepin-6-one
CID 121432213
10-ethylphenothiazine-3,7-dicarbonitrile
CID 102137562
N-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-yl]-N-methylaniline
CID 173271639
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CID 75984175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine?
The IUPAC name of 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine (CID 175814201) is 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine.
What is the SMILES notation for 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine?
The canonical SMILES for 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine is CCN1c2ccccc2Sc2cc3c(cc21)OCC=C3Cl.
What is the InChIKey of 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine?
The InChIKey is CYQCEIYODWSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-2-19-13-5-3-4-6-16(13)21-17-9-11-12(18)7-8-20-15(11)10-14(17)19/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine?
4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine has a molecular weight of 315.83 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine is sourced from PubChem (CID 175814201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).