5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine

C19H18F2N6O — CID 164570334

IUPAC5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12
InChIInChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27)
InChIKeyICWJTEGMURDWAA-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.40
Rot. Bonds5

About 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine

5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 164570334) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID164570334
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12
InChIInChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27)
InChIKeyICWJTEGMURDWAA-UHFFFAOYSA-N
XLogP3.40
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine (CID 164570334) is 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine is O=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12.
What is the InChIKey of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is ICWJTEGMURDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27).
What are the key properties of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 384.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 164570334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).