(4-nitrophenyl)-phenothiazin-10-ylmethanone

C19H12N2O3S — CID 3112604

IUPAC(4-nitrophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12N2O3S/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H
InChIKeyTUBVLHCMQWIBNP-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.04
Rot. Bonds2

About (4-nitrophenyl)-phenothiazin-10-ylmethanone

(4-nitrophenyl)-phenothiazin-10-ylmethanone (PubChem CID 3112604) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is (4-nitrophenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(4-nitrophenyl)-phenothiazin-10-ylmethanone
PubChem CID3112604
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name(4-nitrophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12N2O3S/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H
InChIKeyTUBVLHCMQWIBNP-UHFFFAOYSA-N
XLogP5.04
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-nitrophenyl)-phenothiazin-10-ylmethanone 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

10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
CID 94975
10-Benzoyl-10H-phenothiazine
CID 262319
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CID 1238015
(4-Methylphenyl)-(10-phenothiazinyl)methanone
CID 3473393
(2-chloro-5-nitrophenyl)(10H-phenothiazin-10-yl)methanone
CID 1421194
N-hydroxy-4-(phenothiazin-10-ylmethyl)benzamide
CID 141733188
N-(2-Methylsulfanylphenyl)-4-nitro-benzamide
CID 877269
(10H-phenothiazin-10-yl)(o-tolyl)methanone
CID 3473839
(10H-phenothiazin-10-yl)(m-tolyl)methanone
CID 3473842
(2-methyl-3-nitrophenyl)(10H-phenothiazin-10-yl)methanone
CID 1271071
N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide
CID 155547046
N,N-Dimethyl-2-[2-(N-4-nitrobenzamide)-4-tolylthio]benzylamine
CID 44580702

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (4-nitrophenyl)-phenothiazin-10-ylmethanone (CID 3112604) is (4-nitrophenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (4-nitrophenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (4-nitrophenyl)-phenothiazin-10-ylmethanone is O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (4-nitrophenyl)-phenothiazin-10-ylmethanone?
The InChIKey is TUBVLHCMQWIBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H.
What are the key properties of (4-nitrophenyl)-phenothiazin-10-ylmethanone?
(4-nitrophenyl)-phenothiazin-10-ylmethanone has a molecular weight of 348.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 3112604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).