4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine

C23H22N2O3S — CID 89115594

IUPAC4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine
SMILESC=C1C=C(c2cc3sccc3cn2)Oc2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C23H22N2O3S/c1-16-12-22(20-14-23-17(15-24-20)4-11-29-23)28-21-3-2-18(13-19(16)21)27-10-7-25-5-8-26-9-6-25/h2-4,11-15H,1,5-10H2
InChIKeyPVRGTMMBMAOGJZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.45
Rot. Bonds5

About 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine

4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine (PubChem CID 89115594) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine
PubChem CID89115594
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine
SMILESC=C1C=C(c2cc3sccc3cn2)Oc2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C23H22N2O3S/c1-16-12-22(20-14-23-17(15-24-20)4-11-29-23)28-21-3-2-18(13-19(16)21)27-10-7-25-5-8-26-9-6-25/h2-4,11-15H,1,5-10H2
InChIKeyPVRGTMMBMAOGJZ-UHFFFAOYSA-N
XLogP4.45
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine (CID 89115594) is 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine is C=C1C=C(c2cc3sccc3cn2)Oc2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine?
The InChIKey is PVRGTMMBMAOGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-12-22(20-14-23-17(15-24-20)4-11-29-23)28-21-3-2-18(13-19(16)21)27-10-7-25-5-8-26-9-6-25/h2-4,11-15H,1,5-10H2.
What are the key properties of 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine?
4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine has a molecular weight of 406.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylidene-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl)oxyethyl]morpholine is sourced from PubChem (CID 89115594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).