[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol

C23H18Cl2FN5O2 — CID 86292265

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)22(32)21-23(25)28-4-3-27-21)20-14-2-1-13(9-19(14)29-12-30-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
InChIKeyGLHIUOUYQQLZHP-UHFFFAOYSA-N
MW486.33 g/mol
LogP4.45
Rot. Bonds4

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol (PubChem CID 86292265) has the molecular formula C23H18Cl2FN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol
PubChem CID86292265
Molecular FormulaC23H18Cl2FN5O2
Molecular Weight486.33 g/mol
Exact Mass485.08
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)22(32)21-23(25)28-4-3-27-21)20-14-2-1-13(9-19(14)29-12-30-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
InChIKeyGLHIUOUYQQLZHP-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 [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol (CID 86292265) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol is OC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol?
The InChIKey is GLHIUOUYQQLZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)22(32)21-23(25)28-4-3-27-21)20-14-2-1-13(9-19(14)29-12-30-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)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 [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-chloropyrazin-2-yl)methanol is sourced from PubChem (CID 86292265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).