3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one

C19H16Cl2N2OS — CID 155523385

IUPAC3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one
SMILESCN(C)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C19H16Cl2N2OS/c1-22(2)7-8-23-15-6-4-11(20)9-14(15)19-17(23)18(24)13-5-3-12(21)10-16(13)25-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCQZDXOMFMPOMQY-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.24
Rot. Bonds3

About 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one

3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one (PubChem CID 155523385) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one.

Molecular Properties

Compound Name3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one
PubChem CID155523385
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one
SMILESCN(C)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C19H16Cl2N2OS/c1-22(2)7-8-23-15-6-4-11(20)9-14(15)19-17(23)18(24)13-5-3-12(21)10-16(13)25-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCQZDXOMFMPOMQY-UHFFFAOYSA-N
XLogP5.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one?
The IUPAC name of 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one (CID 155523385) is 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one.
What is the SMILES notation for 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one?
The canonical SMILES for 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one is CN(C)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21.
What is the InChIKey of 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one?
The InChIKey is CQZDXOMFMPOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c1-22(2)7-8-23-15-6-4-11(20)9-14(15)19-17(23)18(24)13-5-3-12(21)10-16(13)25-19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one?
3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one has a molecular weight of 391.32 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-10-[2-(dimethylamino)ethyl]thiochromeno[3,2-b]indol-11-one is sourced from PubChem (CID 155523385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).