10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one

C22H24N2O3S — CID 166436188

IUPAC10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one
SMILESCCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(O)ccc3c(=O)c21
InChIInChI=1S/C22H24N2O3S/c1-4-23(5-2)10-11-24-18-9-7-15(27-3)13-17(18)22-20(24)21(26)16-8-6-14(25)12-19(16)28-22/h6-9,12-13,25H,4-5,10-11H2,1-3H3
InChIKeyVZJDNRNVKRAHTC-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.43
Rot. Bonds6

About 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one

10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one (PubChem CID 166436188) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one.

Molecular Properties

Compound Name10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one
PubChem CID166436188
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one
SMILESCCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(O)ccc3c(=O)c21
InChIInChI=1S/C22H24N2O3S/c1-4-23(5-2)10-11-24-18-9-7-15(27-3)13-17(18)22-20(24)21(26)16-8-6-14(25)12-19(16)28-22/h6-9,12-13,25H,4-5,10-11H2,1-3H3
InChIKeyVZJDNRNVKRAHTC-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one?
The IUPAC name of 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one (CID 166436188) is 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one.
What is the SMILES notation for 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one?
The canonical SMILES for 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one is CCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(O)ccc3c(=O)c21.
What is the InChIKey of 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one?
The InChIKey is VZJDNRNVKRAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-23(5-2)10-11-24-18-9-7-15(27-3)13-17(18)22-20(24)21(26)16-8-6-14(25)12-19(16)28-22/h6-9,12-13,25H,4-5,10-11H2,1-3H3.
What are the key properties of 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one?
10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one has a molecular weight of 396.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethyl]-3-hydroxy-7-methoxythiochromeno[3,2-b]indol-11-one is sourced from PubChem (CID 166436188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).