N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C22H20FN7O — CID 59507749

IUPACN-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc1F
InChIInChI=1S/C22H20FN7O/c23-17-10-15(12-26-21(17)24)19-11-20(29-22(28-19)30-5-7-31-8-6-30)27-16-9-14-3-1-2-4-18(14)25-13-16/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29)
InChIKeyZXRDMHNRSVFCST-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.39
Rot. Bonds4

About N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 59507749) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID59507749
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC NameN-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc1F
InChIInChI=1S/C22H20FN7O/c23-17-10-15(12-26-21(17)24)19-11-20(29-22(28-19)30-5-7-31-8-6-30)27-16-9-14-3-1-2-4-18(14)25-13-16/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29)
InChIKeyZXRDMHNRSVFCST-UHFFFAOYSA-N
XLogP3.39
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 59507749) is N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc1F.
What is the InChIKey of N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is ZXRDMHNRSVFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c23-17-10-15(12-26-21(17)24)19-11-20(29-22(28-19)30-5-7-31-8-6-30)27-16-9-14-3-1-2-4-18(14)25-13-16/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29).
What are the key properties of N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 417.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 59507749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).