(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone

C20H16N2O2S — CID 71517522

IUPAC(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1N
InChIInChI=1S/C20H16N2O2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,21H2,1H3
InChIKeyJOUOQIKRZYCJDJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.72
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone

(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 71517522) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID71517522
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1N
InChIInChI=1S/C20H16N2O2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,21H2,1H3
InChIKeyJOUOQIKRZYCJDJ-UHFFFAOYSA-N
XLogP4.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone (CID 71517522) is (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is JOUOQIKRZYCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,21H2,1H3.
What are the key properties of (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
(3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 348.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 71517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).