8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide

C25H19F3N2O3 — CID 130318469

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C25H19F3N2O3/c26-16-9-7-15(8-10-16)22(13-31)30-25(32)18-11-12-29-24-17(18)3-1-6-23(24)33-14-19-20(27)4-2-5-21(19)28/h1-12,22,31H,13-14H2,(H,30,32)
InChIKeyRIAFGLSWJRZSLM-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.69
Rot. Bonds7

About 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide (PubChem CID 130318469) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
PubChem CID130318469
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C25H19F3N2O3/c26-16-9-7-15(8-10-16)22(13-31)30-25(32)18-11-12-29-24-17(18)3-1-6-23(24)33-14-19-20(27)4-2-5-21(19)28/h1-12,22,31H,13-14H2,(H,30,32)
InChIKeyRIAFGLSWJRZSLM-UHFFFAOYSA-N
XLogP4.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide (CID 130318469) is 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide is O=C(NC(CO)c1ccc(F)cc1)c1ccnc2c(OCc3c(F)cccc3F)cccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide?
The InChIKey is RIAFGLSWJRZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c26-16-9-7-15(8-10-16)22(13-31)30-25(32)18-11-12-29-24-17(18)3-1-6-23(24)33-14-19-20(27)4-2-5-21(19)28/h1-12,22,31H,13-14H2,(H,30,32).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide has a molecular weight of 452.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide is sourced from PubChem (CID 130318469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).