7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole

C28H35N3O6 — CID 175762536

IUPAC7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
SMILESCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C28H35N3O6/c1-2-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-28-6-4-23(20-30-28)22-3-5-24-25-21-29-8-7-26(25)31-27(24)19-22/h3-8,19-21,31H,2,9-18H2,1H3
InChIKeyCVSYKELFMVYKOQ-UHFFFAOYSA-N
MW509.60 g/mol
LogP4.26
Rot. Bonds18

About 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole

7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole (PubChem CID 175762536) has the molecular formula C28H35N3O6 and a molecular weight of 509.60 g/mol. Its IUPAC name is 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
PubChem CID175762536
Molecular FormulaC28H35N3O6
Molecular Weight509.60 g/mol
Exact Mass509.25
IUPAC Name7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
SMILESCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C28H35N3O6/c1-2-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-28-6-4-23(20-30-28)22-3-5-24-25-21-29-8-7-26(25)31-27(24)19-22/h3-8,19-21,31H,2,9-18H2,1H3
InChIKeyCVSYKELFMVYKOQ-UHFFFAOYSA-N
XLogP4.26
TPSA96.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole (CID 175762536) is 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole is CCOCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The InChIKey is CVSYKELFMVYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O6/c1-2-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-28-6-4-23(20-30-28)22-3-5-24-25-21-29-8-7-26(25)31-27(24)19-22/h3-8,19-21,31H,2,9-18H2,1H3.
What are the key properties of 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole?
7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole has a molecular weight of 509.60 g/mol, XLogP of 4.26, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 175762536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).