morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone

C27H24N8O3 — CID 59325250

IUPACmorpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone
SMILESO=C(c1cccc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1
InChIInChI=1S/C27H24N8O3/c36-26(35-6-8-37-9-7-35)18-2-1-3-21(10-18)33-27-30-13-19-11-23(20-14-31-32-15-20)25(12-24(19)34-27)38-17-22-16-28-4-5-29-22/h1-5,10-16H,6-9,17H2,(H,31,32)(H,30,33,34)
InChIKeyWYQVGFUNDGMZPP-UHFFFAOYSA-N
MW508.54 g/mol
LogP3.60
Rot. Bonds7

About morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone

morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone (PubChem CID 59325250) has the molecular formula C27H24N8O3 and a molecular weight of 508.54 g/mol. Its IUPAC name is morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone
PubChem CID59325250
Molecular FormulaC27H24N8O3
Molecular Weight508.54 g/mol
Exact Mass508.20
IUPAC Namemorpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone
SMILESO=C(c1cccc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1
InChIInChI=1S/C27H24N8O3/c36-26(35-6-8-37-9-7-35)18-2-1-3-21(10-18)33-27-30-13-19-11-23(20-14-31-32-15-20)25(12-24(19)34-27)38-17-22-16-28-4-5-29-22/h1-5,10-16H,6-9,17H2,(H,31,32)(H,30,33,34)
InChIKeyWYQVGFUNDGMZPP-UHFFFAOYSA-N
XLogP3.60
TPSA131.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone (CID 59325250) is morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone is O=C(c1cccc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone?
The InChIKey is WYQVGFUNDGMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O3/c36-26(35-6-8-37-9-7-35)18-2-1-3-21(10-18)33-27-30-13-19-11-23(20-14-31-32-15-20)25(12-24(19)34-27)38-17-22-16-28-4-5-29-22/h1-5,10-16H,6-9,17H2,(H,31,32)(H,30,33,34).
What are the key properties of morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone?
morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone has a molecular weight of 508.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 59325250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).