6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one

C19H16Cl2N2OS — CID 7162581

IUPAC6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one
SMILESO=c1c(N2CCN(c3cccc(Cl)c3)CC2)csc2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2OS/c20-13-2-1-3-15(10-13)22-6-8-23(9-7-22)17-12-25-18-5-4-14(21)11-16(18)19(17)24/h1-5,10-12H,6-9H2
InChIKeyUIHYVYDRFQTDGH-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.89
Rot. Bonds2

About 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one

6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one (PubChem CID 7162581) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one
PubChem CID7162581
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one
SMILESO=c1c(N2CCN(c3cccc(Cl)c3)CC2)csc2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2OS/c20-13-2-1-3-15(10-13)22-6-8-23(9-7-22)17-12-25-18-5-4-14(21)11-16(18)19(17)24/h1-5,10-12H,6-9H2
InChIKeyUIHYVYDRFQTDGH-UHFFFAOYSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazin-4-ium-1-yl)-6-chlorothiochromen-4-one
CID 7552734
6-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one
CID 7490204
3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
CID 7490241
1-(3-chlorophenyl)azonane
CID 145391535
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol
CID 67827124
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylthiochromen-4-one
CID 7552692
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one?
The IUPAC name of 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one (CID 7162581) is 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one.
What is the SMILES notation for 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one?
The canonical SMILES for 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one is O=c1c(N2CCN(c3cccc(Cl)c3)CC2)csc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one?
The InChIKey is UIHYVYDRFQTDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c20-13-2-1-3-15(10-13)22-6-8-23(9-7-22)17-12-25-18-5-4-14(21)11-16(18)19(17)24/h1-5,10-12H,6-9H2.
What are the key properties of 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one?
6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one has a molecular weight of 391.32 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one is sourced from PubChem (CID 7162581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).