4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride

C20H23ClFN3O2S — CID 173481523

IUPAC4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
SMILESCl.Fc1cc(N2CCOCC2)cc2c1Nc1ccc(N3CCOCC3)cc1S2
InChIInChI=1S/C20H22FN3O2S.ClH/c21-16-11-15(24-5-9-26-10-6-24)13-19-20(16)22-17-2-1-14(12-18(17)27-19)23-3-7-25-8-4-23;/h1-2,11-13,22H,3-10H2;1H
InChIKeyFGRPVHNBCMSRRF-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.13
Rot. Bonds2

About 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride

4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride (PubChem CID 173481523) has the molecular formula C20H23ClFN3O2S and a molecular weight of 423.94 g/mol. Its IUPAC name is 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
PubChem CID173481523
Molecular FormulaC20H23ClFN3O2S
Molecular Weight423.94 g/mol
Exact Mass423.12
IUPAC Name4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
SMILESCl.Fc1cc(N2CCOCC2)cc2c1Nc1ccc(N3CCOCC3)cc1S2
InChIInChI=1S/C20H22FN3O2S.ClH/c21-16-11-15(24-5-9-26-10-6-24)13-19-20(16)22-17-2-1-14(12-18(17)27-19)23-3-7-25-8-4-23;/h1-2,11-13,22H,3-10H2;1H
InChIKeyFGRPVHNBCMSRRF-UHFFFAOYSA-N
XLogP4.13
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride?
The IUPAC name of 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride (CID 173481523) is 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride is Cl.Fc1cc(N2CCOCC2)cc2c1Nc1ccc(N3CCOCC3)cc1S2.
What is the InChIKey of 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride?
The InChIKey is FGRPVHNBCMSRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S.ClH/c21-16-11-15(24-5-9-26-10-6-24)13-19-20(16)22-17-2-1-14(12-18(17)27-19)23-3-7-25-8-4-23;/h1-2,11-13,22H,3-10H2;1H.
What are the key properties of 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride?
4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 173481523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).