2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide

C21H16ClN3O3S — CID 135603447

IUPAC2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide
SMILESCOc1cc(/C=N/NC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)ccc1O
InChIInChI=1S/C21H16ClN3O3S/c1-28-18-10-13(6-8-17(18)26)12-23-24-21(27)25-15-4-2-3-5-19(15)29-20-9-7-14(22)11-16(20)25/h2-12,26H,1H3,(H,24,27)/b23-12+
InChIKeyPIJASZLMUOZCIM-FSJBWODESA-N
MW425.90 g/mol
LogP5.40
Rot. Bonds3

About 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide

2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide (PubChem CID 135603447) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide
PubChem CID135603447
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide
SMILESCOc1cc(/C=N/NC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)ccc1O
InChIInChI=1S/C21H16ClN3O3S/c1-28-18-10-13(6-8-17(18)26)12-23-24-21(27)25-15-4-2-3-5-19(15)29-20-9-7-14(22)11-16(20)25/h2-12,26H,1H3,(H,24,27)/b23-12+
InChIKeyPIJASZLMUOZCIM-FSJBWODESA-N
XLogP5.40
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide 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

N-[(E)-benzylideneamino]-2-chlorophenothiazine-10-carboxamide
CID 14027132
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide
CID 135607109
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153891
N-(3-chlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 3102361
(2S)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136757836
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
2-methoxy-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phenothiazine-10-carboxamide
CID 14027141
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide?
The IUPAC name of 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide (CID 135603447) is 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide.
What is the SMILES notation for 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide?
The canonical SMILES for 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide is COc1cc(/C=N/NC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)ccc1O.
What is the InChIKey of 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide?
The InChIKey is PIJASZLMUOZCIM-FSJBWODESA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-28-18-10-13(6-8-17(18)26)12-23-24-21(27)25-15-4-2-3-5-19(15)29-20-9-7-14(22)11-16(20)25/h2-12,26H,1H3,(H,24,27)/b23-12+.
What are the key properties of 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide?
2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]phenothiazine-10-carboxamide is sourced from PubChem (CID 135603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).