7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol

C25H24N2O3 — CID 158357399

IUPAC7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Cc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C25H24N2O3/c1-16-7-8-17-9-11-20(25(28)24(17)27-16)21(15-19-6-4-5-13-26-19)18-10-12-22(29-2)23(14-18)30-3/h4-14,21,28H,15H2,1-3H3
InChIKeyIIWCZGMZZXTFKG-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.04
Rot. Bonds6

About 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol

7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol (PubChem CID 158357399) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol
PubChem CID158357399
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Cc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C25H24N2O3/c1-16-7-8-17-9-11-20(25(28)24(17)27-16)21(15-19-6-4-5-13-26-19)18-10-12-22(29-2)23(14-18)30-3/h4-14,21,28H,15H2,1-3H3
InChIKeyIIWCZGMZZXTFKG-UHFFFAOYSA-N
XLogP5.04
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol (CID 158357399) is 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol is COc1ccc(C(Cc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC.
What is the InChIKey of 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol?
The InChIKey is IIWCZGMZZXTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-7-8-17-9-11-20(25(28)24(17)27-16)21(15-19-6-4-5-13-26-19)18-10-12-22(29-2)23(14-18)30-3/h4-14,21,28H,15H2,1-3H3.
What are the key properties of 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol?
7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol has a molecular weight of 400.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 158357399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).