5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

C23H19Cl2FN2O — CID 176732591

IUPAC5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccccc4F)CC3)nc12
InChIInChI=1S/C23H19Cl2FN2O/c24-19-13-20(25)23(29)22-18(19)8-7-17(27-22)6-5-15-9-11-28(12-10-15)14-16-3-1-2-4-21(16)26/h1-9,13,29H,10-12,14H2
InChIKeyGNBCDFKUYFGART-UHFFFAOYSA-N
MW429.32 g/mol
LogP6.23
Rot. Bonds4

About 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (PubChem CID 176732591) has the molecular formula C23H19Cl2FN2O and a molecular weight of 429.32 g/mol. Its IUPAC name is 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
PubChem CID176732591
Molecular FormulaC23H19Cl2FN2O
Molecular Weight429.32 g/mol
Exact Mass428.09
IUPAC Name5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccccc4F)CC3)nc12
InChIInChI=1S/C23H19Cl2FN2O/c24-19-13-20(25)23(29)22-18(19)8-7-17(27-22)6-5-15-9-11-28(12-10-15)14-16-3-1-2-4-21(16)26/h1-9,13,29H,10-12,14H2
InChIKeyGNBCDFKUYFGART-UHFFFAOYSA-N
XLogP6.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (CID 176732591) is 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccccc4F)CC3)nc12.
What is the InChIKey of 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The InChIKey is GNBCDFKUYFGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O/c24-19-13-20(25)23(29)22-18(19)8-7-17(27-22)6-5-15-9-11-28(12-10-15)14-16-3-1-2-4-21(16)26/h1-9,13,29H,10-12,14H2.
What are the key properties of 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol has a molecular weight of 429.32 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is sourced from PubChem (CID 176732591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).