2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C36H50FN5O8 — CID 177148961

IUPAC2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCCOCCOCCn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2
InChIInChI=1S/C36H50FN5O8/c37-28-1-3-30-31-27-41(29-2-4-35-32(26-29)39-36(50-35)40-8-12-44-13-9-40)7-5-33(31)42(34(30)25-28)10-14-45-16-18-47-20-22-49-24-23-48-21-19-46-17-15-43-11-6-38/h1-4,25-26H,5-24,27,38H2
InChIKeyAPFPZOWUJQHXLW-UHFFFAOYSA-N
MW699.82 g/mol
LogP3.38
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 177148961) has the molecular formula C36H50FN5O8 and a molecular weight of 699.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID177148961
Molecular FormulaC36H50FN5O8
Molecular Weight699.82 g/mol
Exact Mass699.36
IUPAC Name2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCOCCOCCOCCn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2
InChIInChI=1S/C36H50FN5O8/c37-28-1-3-30-31-27-41(29-2-4-35-32(26-29)39-36(50-35)40-8-12-44-13-9-40)7-5-33(31)42(34(30)25-28)10-14-45-16-18-47-20-22-49-24-23-48-21-19-46-17-15-43-11-6-38/h1-4,25-26H,5-24,27,38H2
InChIKeyAPFPZOWUJQHXLW-UHFFFAOYSA-N
XLogP3.38
TPSA128.07 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 177148961) is 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCOCCOCCOCCn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is APFPZOWUJQHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50FN5O8/c37-28-1-3-30-31-27-41(29-2-4-35-32(26-29)39-36(50-35)40-8-12-44-13-9-40)7-5-33(31)42(34(30)25-28)10-14-45-16-18-47-20-22-49-24-23-48-21-19-46-17-15-43-11-6-38/h1-4,25-26H,5-24,27,38H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 699.82 g/mol, XLogP of 3.38, 22 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 177148961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).