N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide

C22H17FN6O2 — CID 138587570

IUPACN-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1ncc2ccc(-c3cncc(OC4CNC4)n3)cc2n1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN6O2/c23-16-5-3-13(4-6-16)21(30)29-22-26-8-15-2-1-14(7-18(15)28-22)19-11-25-12-20(27-19)31-17-9-24-10-17/h1-8,11-12,17,24H,9-10H2,(H,26,28,29,30)
InChIKeyHVGVWVXOHWPNOI-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.83
Rot. Bonds5

About N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide

N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide (PubChem CID 138587570) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide
PubChem CID138587570
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC NameN-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1ncc2ccc(-c3cncc(OC4CNC4)n3)cc2n1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN6O2/c23-16-5-3-13(4-6-16)21(30)29-22-26-8-15-2-1-14(7-18(15)28-22)19-11-25-12-20(27-19)31-17-9-24-10-17/h1-8,11-12,17,24H,9-10H2,(H,26,28,29,30)
InChIKeyHVGVWVXOHWPNOI-UHFFFAOYSA-N
XLogP2.83
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide (CID 138587570) is N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide is O=C(Nc1ncc2ccc(-c3cncc(OC4CNC4)n3)cc2n1)c1ccc(F)cc1.
What is the InChIKey of N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide?
The InChIKey is HVGVWVXOHWPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c23-16-5-3-13(4-6-16)21(30)29-22-26-8-15-2-1-14(7-18(15)28-22)19-11-25-12-20(27-19)31-17-9-24-10-17/h1-8,11-12,17,24H,9-10H2,(H,26,28,29,30).
What are the key properties of N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide?
N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide has a molecular weight of 416.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 138587570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).