naphthalen-2-yl phenothiazine-10-carboxylate

C23H15NO2S — CID 24905710

IUPACnaphthalen-2-yl phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H15NO2S/c25-23(26-18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)24/h1-15H
InChIKeyDFCQYZLDLAWXGY-UHFFFAOYSA-N
MW369.45 g/mol
LogP6.64
Rot. Bonds1

About naphthalen-2-yl phenothiazine-10-carboxylate

naphthalen-2-yl phenothiazine-10-carboxylate (PubChem CID 24905710) has the molecular formula C23H15NO2S and a molecular weight of 369.45 g/mol. Its IUPAC name is naphthalen-2-yl phenothiazine-10-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl phenothiazine-10-carboxylate
PubChem CID24905710
Molecular FormulaC23H15NO2S
Molecular Weight369.45 g/mol
Exact Mass369.08
IUPAC Namenaphthalen-2-yl phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H15NO2S/c25-23(26-18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)24/h1-15H
InChIKeyDFCQYZLDLAWXGY-UHFFFAOYSA-N
XLogP6.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10H-Phenothiazine, 10-((2-naphthalenyloxy)acetyl)-
CID 1350746
Phenyl 10H-phenothiazine-10-carboxylate
CID 3773589
naphthalen-1-yl 10H-phenothiazine-10-carboxylate
CID 16645664
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
m-tolyl 10H-phenothiazine-10-carboxylate
CID 24905593
2-tert-butylphenyl 10H-phenothiazine-10-carboxylate
CID 24905655
10H-Phenothiazine, 10-((1-naphthalenyloxy)acetyl)-
CID 2317080
(4-Tert-butylphenyl) phenothiazine-10-carboxylate
CID 24905656
(4-Phenylphenyl) phenothiazine-10-carboxylate
CID 24905657
2-(naphthalen-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethanone
CID 1893753
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 10H-phenothiazine-10-carboxylate
CID 1606262

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl phenothiazine-10-carboxylate?
The IUPAC name of naphthalen-2-yl phenothiazine-10-carboxylate (CID 24905710) is naphthalen-2-yl phenothiazine-10-carboxylate.
What is the SMILES notation for naphthalen-2-yl phenothiazine-10-carboxylate?
The canonical SMILES for naphthalen-2-yl phenothiazine-10-carboxylate is O=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of naphthalen-2-yl phenothiazine-10-carboxylate?
The InChIKey is DFCQYZLDLAWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO2S/c25-23(26-18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)24/h1-15H.
What are the key properties of naphthalen-2-yl phenothiazine-10-carboxylate?
naphthalen-2-yl phenothiazine-10-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl phenothiazine-10-carboxylate is sourced from PubChem (CID 24905710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).