7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol

C22H16Cl2N2O — CID 58543199

IUPAC7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12
InChIInChI=1S/C22H16Cl2N2O/c23-16-10-15(11-17(24)12-16)20(13-18-5-1-2-8-25-18)19-7-6-14-4-3-9-26-21(14)22(19)27/h1-12,20,27H,13H2
InChIKeyYAFUAUNDDVQUNT-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.02
Rot. Bonds4

About 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol

7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol (PubChem CID 58543199) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
PubChem CID58543199
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC Name7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12
InChIInChI=1S/C22H16Cl2N2O/c23-16-10-15(11-17(24)12-16)20(13-18-5-1-2-8-25-18)19-7-6-14-4-3-9-26-21(14)22(19)27/h1-12,20,27H,13H2
InChIKeyYAFUAUNDDVQUNT-UHFFFAOYSA-N
XLogP6.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol (CID 58543199) is 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol is Oc1c(C(Cc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12.
What is the InChIKey of 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol?
The InChIKey is YAFUAUNDDVQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c23-16-10-15(11-17(24)12-16)20(13-18-5-1-2-8-25-18)19-7-6-14-4-3-9-26-21(14)22(19)27/h1-12,20,27H,13H2.
What are the key properties of 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol?
7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol has a molecular weight of 395.29 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol is sourced from PubChem (CID 58543199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).