[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol

C26H22FN5O2 — CID 118954956

IUPAC[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nccn2cccc12
InChIInChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
InChIKeyKEDFGJHVFDJAQW-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.00
Rot. Bonds4

About [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (PubChem CID 118954956) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.

Molecular Properties

Compound Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
PubChem CID118954956
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nccn2cccc12
InChIInChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
InChIKeyKEDFGJHVFDJAQW-UHFFFAOYSA-N
XLogP4.00
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (CID 118954956) is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.
What is the SMILES notation for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The canonical SMILES for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nccn2cccc12.
What is the InChIKey of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The InChIKey is KEDFGJHVFDJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2.
What are the key properties of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol has a molecular weight of 455.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is sourced from PubChem (CID 118954956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).