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

C20H13F2N5O — CID 118400860

IUPACN-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H13F2N5O/c21-15-3-4-17(26-10-15)27-20(28)16-7-13(6-12-2-1-5-25-19(12)16)18(22)14-8-23-11-24-9-14/h1-11,18H,(H,26,27,28)
InChIKeyNOAATVRULKQPJW-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.87
Rot. Bonds4

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

N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide (PubChem CID 118400860) has the molecular formula C20H13F2N5O and a molecular weight of 377.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
PubChem CID118400860
Molecular FormulaC20H13F2N5O
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H13F2N5O/c21-15-3-4-17(26-10-15)27-20(28)16-7-13(6-12-2-1-5-25-19(12)16)18(22)14-8-23-11-24-9-14/h1-11,18H,(H,26,27,28)
InChIKeyNOAATVRULKQPJW-UHFFFAOYSA-N
XLogP3.87
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.87
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)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide (CID 118400860) is N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(C(F)c2cncnc2)cc2cccnc12.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The InChIKey is NOAATVRULKQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O/c21-15-3-4-17(26-10-15)27-20(28)16-7-13(6-12-2-1-5-25-19(12)16)18(22)14-8-23-11-24-9-14/h1-11,18H,(H,26,27,28).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 3.87, 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)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 118400860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).