2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile

C23H24N2O4 — CID 18771418

IUPAC2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile
SMILESCCCC(C#N)Oc1c(-c2ccc(OC)cc2)cnc2c(OC)ccc(OC)c12
InChIInChI=1S/C23H24N2O4/c1-5-6-17(13-24)29-23-18(15-7-9-16(26-2)10-8-15)14-25-22-20(28-4)12-11-19(27-3)21(22)23/h7-12,14,17H,5-6H2,1-4H3
InChIKeyUNLISBHPROTSQL-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.00
Rot. Bonds8

About 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile

2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile (PubChem CID 18771418) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile.

Molecular Properties

Compound Name2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile
PubChem CID18771418
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile
SMILESCCCC(C#N)Oc1c(-c2ccc(OC)cc2)cnc2c(OC)ccc(OC)c12
InChIInChI=1S/C23H24N2O4/c1-5-6-17(13-24)29-23-18(15-7-9-16(26-2)10-8-15)14-25-22-20(28-4)12-11-19(27-3)21(22)23/h7-12,14,17H,5-6H2,1-4H3
InChIKeyUNLISBHPROTSQL-UHFFFAOYSA-N
XLogP5.00
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile?
The IUPAC name of 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile (CID 18771418) is 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile.
What is the SMILES notation for 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile?
The canonical SMILES for 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile is CCCC(C#N)Oc1c(-c2ccc(OC)cc2)cnc2c(OC)ccc(OC)c12.
What is the InChIKey of 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile?
The InChIKey is UNLISBHPROTSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-5-6-17(13-24)29-23-18(15-7-9-16(26-2)10-8-15)14-25-22-20(28-4)12-11-19(27-3)21(22)23/h7-12,14,17H,5-6H2,1-4H3.
What are the key properties of 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile?
2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile has a molecular weight of 392.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile is sourced from PubChem (CID 18771418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).