1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine

C21H25ClN4S — CID 89080377

IUPAC1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine
SMILESC=C(N(C)CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H25ClN4S/c1-16(24(3)15-25-12-10-23(2)11-13-25)26-18-6-4-5-7-20(18)27-21-9-8-17(22)14-19(21)26/h4-9,14H,1,10-13,15H2,2-3H3
InChIKeyXLOJURDQQDXBQE-UHFFFAOYSA-N
MW400.98 g/mol
LogP4.55
Rot. Bonds4

About 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine

1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine (PubChem CID 89080377) has the molecular formula C21H25ClN4S and a molecular weight of 400.98 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine
PubChem CID89080377
Molecular FormulaC21H25ClN4S
Molecular Weight400.98 g/mol
Exact Mass400.15
IUPAC Name1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine
SMILESC=C(N(C)CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H25ClN4S/c1-16(24(3)15-25-12-10-23(2)11-13-25)26-18-6-4-5-7-20(18)27-21-9-8-17(22)14-19(21)26/h4-9,14H,1,10-13,15H2,2-3H3
InChIKeyXLOJURDQQDXBQE-UHFFFAOYSA-N
XLogP4.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine with MolForge

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Related Compounds

(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
CID 45376988
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2873620
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
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
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
CID 8548058
1-(2-chlorophenothiazin-10-yl)-N-(4-methylpiperazin-1-yl)oxymethanamine
CID 89080505

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine (CID 89080377) is 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine is C=C(N(C)CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine?
The InChIKey is XLOJURDQQDXBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4S/c1-16(24(3)15-25-12-10-23(2)11-13-25)26-18-6-4-5-7-20(18)27-21-9-8-17(22)14-19(21)26/h4-9,14H,1,10-13,15H2,2-3H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine?
1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine has a molecular weight of 400.98 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethenamine is sourced from PubChem (CID 89080377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).