1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine

C18H21ClN4OS — CID 89080505

IUPAC1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
SMILESCN1CCN(ONCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C18H21ClN4OS/c1-21-8-10-22(11-9-21)24-20-13-23-15-4-2-3-5-17(15)25-18-7-6-14(19)12-16(18)23/h2-7,12,20H,8-11,13H2,1H3
InChIKeyDYOWZZGFAJXCBQ-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine

1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine (PubChem CID 89080505) has the molecular formula C18H21ClN4OS and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
PubChem CID89080505
Molecular FormulaC18H21ClN4OS
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
SMILESCN1CCN(ONCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C18H21ClN4OS/c1-21-8-10-22(11-9-21)24-20-13-23-15-4-2-3-5-17(15)25-18-7-6-14(19)12-16(18)23/h2-7,12,20H,8-11,13H2,1H3
InChIKeyDYOWZZGFAJXCBQ-UHFFFAOYSA-N
XLogP3.58
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
CID 25203624
1-(3-fluoro-10H-phenazin-5-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
CID 89080365
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
CID 158500494
2-chloro-10-[1,1,2,2,3,3-hexadeuterio-3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
CID 45280504
(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
CID 45376988
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
2-[2-[4-[(2S)-3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
CID 92774175
2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
CID 132591419

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine (CID 89080505) is 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine is CN1CCN(ONCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
The InChIKey is DYOWZZGFAJXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS/c1-21-8-10-22(11-9-21)24-20-13-23-15-4-2-3-5-17(15)25-18-7-6-14(19)12-16(18)23/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine?
1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine has a molecular weight of 376.91 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine is sourced from PubChem (CID 89080505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).