2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol

C20H17FN6O3 — CID 42611019

IUPAC2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol
SMILESCc1cnc(Nc2ncnc3ccc(Oc4ncc(OCCO)cc4F)cc23)cn1
InChIInChI=1S/C20H17FN6O3/c1-12-8-23-18(10-22-12)27-19-15-6-13(2-3-17(15)25-11-26-19)30-20-16(21)7-14(9-24-20)29-5-4-28/h2-3,6-11,28H,4-5H2,1H3,(H,23,25,26,27)
InChIKeyRKIBPZNFEJOGHN-UHFFFAOYSA-N
MW408.39 g/mol
LogP3.17
Rot. Bonds7

About 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol

2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol (PubChem CID 42611019) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol
PubChem CID42611019
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol
SMILESCc1cnc(Nc2ncnc3ccc(Oc4ncc(OCCO)cc4F)cc23)cn1
InChIInChI=1S/C20H17FN6O3/c1-12-8-23-18(10-22-12)27-19-15-6-13(2-3-17(15)25-11-26-19)30-20-16(21)7-14(9-24-20)29-5-4-28/h2-3,6-11,28H,4-5H2,1H3,(H,23,25,26,27)
InChIKeyRKIBPZNFEJOGHN-UHFFFAOYSA-N
XLogP3.17
TPSA115.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

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CID 13869545
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CID 14069015
CID 14069015
CID 162644019
CID 162644019
CID 663751
CID 663751
CID 9967928
CID 9967928
CID 10255469
CID 10255469
CID 10275985
CID 10275985
CID 10319855
CID 10319855
CID 10363608
CID 10363608

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol (CID 42611019) is 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol is Cc1cnc(Nc2ncnc3ccc(Oc4ncc(OCCO)cc4F)cc23)cn1.
What is the InChIKey of 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol?
The InChIKey is RKIBPZNFEJOGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-12-8-23-18(10-22-12)27-19-15-6-13(2-3-17(15)25-11-26-19)30-20-16(21)7-14(9-24-20)29-5-4-28/h2-3,6-11,28H,4-5H2,1H3,(H,23,25,26,27).
What are the key properties of 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol?
2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol has a molecular weight of 408.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 42611019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).