2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline

C37H34N2O4 — CID 53315282

IUPAC2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
SMILESCOc1cccc(OC)c1-c1cc(CCCc2cc(-c3c(OC)cccc3OC)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C37H34N2O4/c1-40-32-18-10-19-33(41-2)36(32)30-22-24(26-14-5-7-16-28(26)38-30)12-9-13-25-23-31(39-29-17-8-6-15-27(25)29)37-34(42-3)20-11-21-35(37)43-4/h5-8,10-11,14-23H,9,12-13H2,1-4H3
InChIKeyRYPGCSCMCPZCLD-UHFFFAOYSA-N
MW570.69 g/mol
LogP8.33
Rot. Bonds10

About 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline

2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline (PubChem CID 53315282) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
PubChem CID53315282
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC Name2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
SMILESCOc1cccc(OC)c1-c1cc(CCCc2cc(-c3c(OC)cccc3OC)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C37H34N2O4/c1-40-32-18-10-19-33(41-2)36(32)30-22-24(26-14-5-7-16-28(26)38-30)12-9-13-25-23-31(39-29-17-8-6-15-27(25)29)37-34(42-3)20-11-21-35(37)43-4/h5-8,10-11,14-23H,9,12-13H2,1-4H3
InChIKeyRYPGCSCMCPZCLD-UHFFFAOYSA-N
XLogP8.33
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline (CID 53315282) is 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline is COc1cccc(OC)c1-c1cc(CCCc2cc(-c3c(OC)cccc3OC)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline?
The InChIKey is RYPGCSCMCPZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O4/c1-40-32-18-10-19-33(41-2)36(32)30-22-24(26-14-5-7-16-28(26)38-30)12-9-13-25-23-31(39-29-17-8-6-15-27(25)29)37-34(42-3)20-11-21-35(37)43-4/h5-8,10-11,14-23H,9,12-13H2,1-4H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline?
2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline has a molecular weight of 570.69 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline is sourced from PubChem (CID 53315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).