(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C23H18Cl2FN5O2 — CID 86291872

IUPAC(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nc(Cl)cnc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
InChIKeyXHOQZGNYQBPNLL-UHFFFAOYSA-N
MW486.33 g/mol
LogP4.45
Rot. Bonds4

About (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86291872) has the molecular formula C23H18Cl2FN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86291872
Molecular FormulaC23H18Cl2FN5O2
Molecular Weight486.33 g/mol
Exact Mass485.08
IUPAC Name(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nc(Cl)cnc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
InChIKeyXHOQZGNYQBPNLL-UHFFFAOYSA-N
XLogP4.45
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86291872) is (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nc(Cl)cnc1Cl.
What is the InChIKey of (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is XHOQZGNYQBPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2.
What are the key properties of (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 486.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86291872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).