N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide

C25H21FN4O2 — CID 58154757

IUPACN-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12
InChIInChI=1S/C25H21FN4O2/c26-19-8-10-23(27-16-19)29-25(31)21-6-2-3-17-7-9-22(28-24(17)21)18-4-1-5-20(15-18)30-11-13-32-14-12-30/h1-10,15-16H,11-14H2,(H,27,29,31)
InChIKeyPHSWOLNMYNBWEE-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.52
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide

N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide (PubChem CID 58154757) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide
PubChem CID58154757
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12
InChIInChI=1S/C25H21FN4O2/c26-19-8-10-23(27-16-19)29-25(31)21-6-2-3-17-7-9-22(28-24(17)21)18-4-1-5-20(15-18)30-11-13-32-14-12-30/h1-10,15-16H,11-14H2,(H,27,29,31)
InChIKeyPHSWOLNMYNBWEE-UHFFFAOYSA-N
XLogP4.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide (CID 58154757) is N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide?
The InChIKey is PHSWOLNMYNBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-19-8-10-23(27-16-19)29-25(31)21-6-2-3-17-7-9-22(28-24(17)21)18-4-1-5-20(15-18)30-11-13-32-14-12-30/h1-10,15-16H,11-14H2,(H,27,29,31).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide is sourced from PubChem (CID 58154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).