(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone

C20H14ClNO2S — CID 2359994

IUPAC(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
InChIKeyCSWHYHPUEDNIQY-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.79
Rot. Bonds2

About (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone

(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone (PubChem CID 2359994) has the molecular formula C20H14ClNO2S and a molecular weight of 367.86 g/mol. Its IUPAC name is (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone
PubChem CID2359994
Molecular FormulaC20H14ClNO2S
Molecular Weight367.86 g/mol
Exact Mass367.04
IUPAC Name(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
InChIKeyCSWHYHPUEDNIQY-UHFFFAOYSA-N
XLogP5.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone (CID 2359994) is (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1.
What is the InChIKey of (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The InChIKey is CSWHYHPUEDNIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3.
What are the key properties of (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone has a molecular weight of 367.86 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2359994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).