7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline

C21H21N3S — CID 10497869

IUPAC7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2CSc2ccccc2-3)CC1
InChIInChI=1S/C21H21N3S/c1-23-10-12-24(13-11-23)21-17-14-25-19-9-5-3-7-16(19)20(17)15-6-2-4-8-18(15)22-21/h2-9H,10-14H2,1H3
InChIKeyHTBGXIVKSXVHMI-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.26
Rot. Bonds1

About 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline

7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline (PubChem CID 10497869) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline
PubChem CID10497869
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2CSc2ccccc2-3)CC1
InChIInChI=1S/C21H21N3S/c1-23-10-12-24(13-11-23)21-17-14-25-19-9-5-3-7-16(19)20(17)15-6-2-4-8-18(15)22-21/h2-9H,10-14H2,1H3
InChIKeyHTBGXIVKSXVHMI-UHFFFAOYSA-N
XLogP4.26
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline (CID 10497869) is 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline is CN1CCN(c2nc3ccccc3c3c2CSc2ccccc2-3)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline?
The InChIKey is HTBGXIVKSXVHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-23-10-12-24(13-11-23)21-17-14-25-19-9-5-3-7-16(19)20(17)15-6-2-4-8-18(15)22-21/h2-9H,10-14H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline?
7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline has a molecular weight of 347.49 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-6H-thiochromeno[3,4-c]quinoline is sourced from PubChem (CID 10497869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).