4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine

C36H34N4O3S — CID 176904156

IUPAC4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine
SMILESCOc1ccc2[nH]c(-c3ccc4c(c3)Sc3cc(-c5cc6cc(OC)ccc6[nH]5)ccc3N4CCN3CCOCC3)cc2c1
InChIInChI=1S/C36H34N4O3S/c1-41-27-5-7-29-25(17-27)19-31(37-29)23-3-9-33-35(21-23)44-36-22-24(32-20-26-18-28(42-2)6-8-30(26)38-32)4-10-34(36)40(33)12-11-39-13-15-43-16-14-39/h3-10,17-22,37-38H,11-16H2,1-2H3
InChIKeyJWISGSXVOGEBFT-UHFFFAOYSA-N
MW602.76 g/mol
LogP7.94
Rot. Bonds7

About 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine

4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine (PubChem CID 176904156) has the molecular formula C36H34N4O3S and a molecular weight of 602.76 g/mol. Its IUPAC name is 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine
PubChem CID176904156
Molecular FormulaC36H34N4O3S
Molecular Weight602.76 g/mol
Exact Mass602.24
IUPAC Name4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine
SMILESCOc1ccc2[nH]c(-c3ccc4c(c3)Sc3cc(-c5cc6cc(OC)ccc6[nH]5)ccc3N4CCN3CCOCC3)cc2c1
InChIInChI=1S/C36H34N4O3S/c1-41-27-5-7-29-25(17-27)19-31(37-29)23-3-9-33-35(21-23)44-36-22-24(32-20-26-18-28(42-2)6-8-30(26)38-32)4-10-34(36)40(33)12-11-39-13-15-43-16-14-39/h3-10,17-22,37-38H,11-16H2,1-2H3
InChIKeyJWISGSXVOGEBFT-UHFFFAOYSA-N
XLogP7.94
TPSA65.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine (CID 176904156) is 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine is COc1ccc2[nH]c(-c3ccc4c(c3)Sc3cc(-c5cc6cc(OC)ccc6[nH]5)ccc3N4CCN3CCOCC3)cc2c1.
What is the InChIKey of 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine?
The InChIKey is JWISGSXVOGEBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O3S/c1-41-27-5-7-29-25(17-27)19-31(37-29)23-3-9-33-35(21-23)44-36-22-24(32-20-26-18-28(42-2)6-8-30(26)38-32)4-10-34(36)40(33)12-11-39-13-15-43-16-14-39/h3-10,17-22,37-38H,11-16H2,1-2H3.
What are the key properties of 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine?
4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine has a molecular weight of 602.76 g/mol, XLogP of 7.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,7-bis(5-methoxy-1H-indol-2-yl)phenothiazin-10-yl]ethyl]morpholine is sourced from PubChem (CID 176904156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).