3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole

C25H20ClN3O — CID 90656267

IUPAC3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(Cl)cc3)cnc21
InChIInChI=1S/C25H20ClN3O/c1-29-23-7-3-2-5-21(23)22-15-17(16-28-24(22)29)12-14-30-25-20(6-4-13-27-25)18-8-10-19(26)11-9-18/h2-11,13,15-16H,12,14H2,1H3
InChIKeySUODVAFFTJZMSH-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.06
Rot. Bonds5

About 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole

3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole (PubChem CID 90656267) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
PubChem CID90656267
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(Cl)cc3)cnc21
InChIInChI=1S/C25H20ClN3O/c1-29-23-7-3-2-5-21(23)22-15-17(16-28-24(22)29)12-14-30-25-20(6-4-13-27-25)18-8-10-19(26)11-9-18/h2-11,13,15-16H,12,14H2,1H3
InChIKeySUODVAFFTJZMSH-UHFFFAOYSA-N
XLogP6.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole?
The IUPAC name of 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole (CID 90656267) is 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole.
What is the SMILES notation for 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole?
The canonical SMILES for 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole is Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(Cl)cc3)cnc21.
What is the InChIKey of 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole?
The InChIKey is SUODVAFFTJZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-29-23-7-3-2-5-21(23)22-15-17(16-28-24(22)29)12-14-30-25-20(6-4-13-27-25)18-8-10-19(26)11-9-18/h2-11,13,15-16H,12,14H2,1H3.
What are the key properties of 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole?
3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole has a molecular weight of 413.91 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(4-chlorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole is sourced from PubChem (CID 90656267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).