7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol

C23H17Cl3N2O — CID 58542757

IUPAC7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1cc(Cl)cc(Cl)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17Cl3N2O/c1-13-7-18(26)12-28-21(13)11-20(15-8-16(24)10-17(25)9-15)19-5-4-14-3-2-6-27-22(14)23(19)29/h2-10,12,20,29H,11H2,1H3
InChIKeyOQBBWBKINZJOGQ-UHFFFAOYSA-N
MW443.76 g/mol
LogP6.98
Rot. Bonds4

About 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol

7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol (PubChem CID 58542757) has the molecular formula C23H17Cl3N2O and a molecular weight of 443.76 g/mol. Its IUPAC name is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
PubChem CID58542757
Molecular FormulaC23H17Cl3N2O
Molecular Weight443.76 g/mol
Exact Mass442.04
IUPAC Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1cc(Cl)cc(Cl)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17Cl3N2O/c1-13-7-18(26)12-28-21(13)11-20(15-8-16(24)10-17(25)9-15)19-5-4-14-3-2-6-27-22(14)23(19)29/h2-10,12,20,29H,11H2,1H3
InChIKeyOQBBWBKINZJOGQ-UHFFFAOYSA-N
XLogP6.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol (CID 58542757) is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol is Cc1cc(Cl)cnc1CC(c1cc(Cl)cc(Cl)c1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol?
The InChIKey is OQBBWBKINZJOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O/c1-13-7-18(26)12-28-21(13)11-20(15-8-16(24)10-17(25)9-15)19-5-4-14-3-2-6-27-22(14)23(19)29/h2-10,12,20,29H,11H2,1H3.
What are the key properties of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol?
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol has a molecular weight of 443.76 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).