8-ethyl-3-methoxy-12H-benzo[b]phenothiazine

C19H17NOS — CID 139221802

IUPAC8-ethyl-3-methoxy-12H-benzo[b]phenothiazine
SMILESCCc1ccc2cc3c(cc2c1)Sc1cc(OC)ccc1N3
InChIInChI=1S/C19H17NOS/c1-3-12-4-5-13-9-17-18(10-14(13)8-12)22-19-11-15(21-2)6-7-16(19)20-17/h4-11,20H,3H2,1-2H3
InChIKeyDMVVRBZJWUCBGT-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.62
Rot. Bonds2

About 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine

8-ethyl-3-methoxy-12H-benzo[b]phenothiazine (PubChem CID 139221802) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine.

Molecular Properties

Compound Name8-ethyl-3-methoxy-12H-benzo[b]phenothiazine
PubChem CID139221802
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name8-ethyl-3-methoxy-12H-benzo[b]phenothiazine
SMILESCCc1ccc2cc3c(cc2c1)Sc1cc(OC)ccc1N3
InChIInChI=1S/C19H17NOS/c1-3-12-4-5-13-9-17-18(10-14(13)8-12)22-19-11-15(21-2)6-7-16(19)20-17/h4-11,20H,3H2,1-2H3
InChIKeyDMVVRBZJWUCBGT-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methoxy-3-methylphenyl)ethyl]-10H-phenothiazine
CID 141531498
2-[1-(4-fluoro-3-methoxyphenyl)ethyl]-10H-phenothiazine
CID 141531528
2-[1-(3-methoxy-4-methylphenyl)ethyl]-10H-phenothiazine
CID 141531538
2-[1-(4-methoxyphenyl)ethenyl]-10H-phenothiazine
CID 168292157
7-Methoxy-2-(trifluoromethyl)-10H-phenothiazine
CID 71402898
n,n-Diethyl-2-(9-methoxy-12h-benzo[a]phenothiazin-12-yl)ethanamine
CID 229326
3-(10-Methoxy-7h-benzo[c]phenothiazin-7-yl)-n,n-dimethylpropan-1-amine
CID 229970
7-Methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
CID 15309887
10-(4-(t-Butyl)phenyl)-3,7-dimethoxy-10h-phenothiazine
CID 166606855
3-Ethoxy-7-methyl-10H-phenothiazine
CID 71404367
9-methoxy-12H-benzo[a]phenothiazine
CID 85534690
15-Methoxy-9,21-dimethyl-12,18-dithia-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 102520195

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine?
The IUPAC name of 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine (CID 139221802) is 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine.
What is the SMILES notation for 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine?
The canonical SMILES for 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine is CCc1ccc2cc3c(cc2c1)Sc1cc(OC)ccc1N3.
What is the InChIKey of 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine?
The InChIKey is DMVVRBZJWUCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-3-12-4-5-13-9-17-18(10-14(13)8-12)22-19-11-15(21-2)6-7-16(19)20-17/h4-11,20H,3H2,1-2H3.
What are the key properties of 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine?
8-ethyl-3-methoxy-12H-benzo[b]phenothiazine has a molecular weight of 307.42 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methoxy-12H-benzo[b]phenothiazine is sourced from PubChem (CID 139221802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).