acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol

C19H23ClN2O3S — CID 71438522

IUPACacetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
SMILESCC(=O)O.CN(C)CCCN1c2cc(Cl)ccc2Sc2c(O)cccc21
InChIInChI=1S/C17H19ClN2OS.C2H4O2/c1-19(2)9-4-10-20-13-5-3-6-15(21)17(13)22-16-8-7-12(18)11-14(16)20;1-2(3)4/h3,5-8,11,21H,4,9-10H2,1-2H3;1H3,(H,3,4)
InChIKeyVUSIQTPWVINNPJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.69
Rot. Bonds4

About acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol

acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol (PubChem CID 71438522) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol.

Molecular Properties

Compound Nameacetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
PubChem CID71438522
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Nameacetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
SMILESCC(=O)O.CN(C)CCCN1c2cc(Cl)ccc2Sc2c(O)cccc21
InChIInChI=1S/C17H19ClN2OS.C2H4O2/c1-19(2)9-4-10-20-13-5-3-6-15(21)17(13)22-16-8-7-12(18)11-14(16)20;1-2(3)4/h3,5-8,11,21H,4,9-10H2,1-2H3;1H3,(H,3,4)
InChIKeyVUSIQTPWVINNPJ-UHFFFAOYSA-N
XLogP4.69
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
CID 12519492
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]ethanone;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 159357848
10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride
CID 139024765
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308
(Z)-but-2-enedioic acid;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide
CID 131667596
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
3-(8-chloro-1,2,3,4-tetradeuteriophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 46198787
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155

Frequently Asked Questions

What is the IUPAC name of acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol?
The IUPAC name of acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol (CID 71438522) is acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol.
What is the SMILES notation for acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol?
The canonical SMILES for acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol is CC(=O)O.CN(C)CCCN1c2cc(Cl)ccc2Sc2c(O)cccc21.
What is the InChIKey of acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol?
The InChIKey is VUSIQTPWVINNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS.C2H4O2/c1-19(2)9-4-10-20-13-5-3-6-15(21)17(13)22-16-8-7-12(18)11-14(16)20;1-2(3)4/h3,5-8,11,21H,4,9-10H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol?
acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol has a molecular weight of 394.92 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol is sourced from PubChem (CID 71438522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).