6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide

C20H12F3N5O — CID 118400862

IUPAC6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29)
InChIKeySSEBXTYNQCKMOP-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.95
Rot. Bonds4

About 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide

6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide (PubChem CID 118400862) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
PubChem CID118400862
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29)
InChIKeySSEBXTYNQCKMOP-UHFFFAOYSA-N
XLogP3.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The IUPAC name of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide (CID 118400862) is 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The canonical SMILES for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12.
What is the InChIKey of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The InChIKey is SSEBXTYNQCKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29).
What are the key properties of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide is sourced from PubChem (CID 118400862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).