1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one

C20H22ClN3OS — CID 661699

IUPAC1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H22ClN3OS/c1-22-10-12-23(13-11-22)9-8-20(25)24-16-4-2-3-5-18(16)26-19-7-6-15(21)14-17(19)24/h2-7,14H,8-13H2,1H3
InChIKeyPOTWBOICYBGNOO-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one

1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 661699) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID661699
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H22ClN3OS/c1-22-10-12-23(13-11-22)9-8-20(25)24-16-4-2-3-5-18(16)26-19-7-6-15(21)14-17(19)24/h2-7,14H,8-13H2,1H3
InChIKeyPOTWBOICYBGNOO-UHFFFAOYSA-N
XLogP4.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one (CID 661699) is 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is POTWBOICYBGNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-22-10-12-23(13-11-22)9-8-20(25)24-16-4-2-3-5-18(16)26-19-7-6-15(21)14-17(19)24/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 387.94 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).