7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol

C23H17Cl2FN2O — CID 58543020

IUPAC7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1F
InChIInChI=1S/C23H17Cl2FN2O/c1-13-7-18(28-12-21(13)26)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
InChIKeyYPYXVYQOIVPPAL-UHFFFAOYSA-N
MW427.31 g/mol
LogP6.46
Rot. Bonds4

About 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol

7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol (PubChem CID 58543020) has the molecular formula C23H17Cl2FN2O and a molecular weight of 427.31 g/mol. Its IUPAC name is 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
PubChem CID58543020
Molecular FormulaC23H17Cl2FN2O
Molecular Weight427.31 g/mol
Exact Mass426.07
IUPAC Name7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1F
InChIInChI=1S/C23H17Cl2FN2O/c1-13-7-18(28-12-21(13)26)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
InChIKeyYPYXVYQOIVPPAL-UHFFFAOYSA-N
XLogP6.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.46
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-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol (CID 58543020) is 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol is Cc1cc(CC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1F.
What is the InChIKey of 7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The InChIKey is YPYXVYQOIVPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O/c1-13-7-18(28-12-21(13)26)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-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol has a molecular weight of 427.31 g/mol, XLogP of 6.46, 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-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58543020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).