[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol

C26H21ClFN5O2 — CID 118954837

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccn2cccc12
InChIInChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
InChIKeyOWORGYHATQJZBK-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.66
Rot. Bonds4

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (PubChem CID 118954837) has the molecular formula C26H21ClFN5O2 and a molecular weight of 489.94 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
PubChem CID118954837
Molecular FormulaC26H21ClFN5O2
Molecular Weight489.94 g/mol
Exact Mass489.14
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccn2cccc12
InChIInChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
InChIKeyOWORGYHATQJZBK-UHFFFAOYSA-N
XLogP4.66
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (CID 118954837) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is OC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccn2cccc12.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The InChIKey is OWORGYHATQJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol has a molecular weight of 489.94 g/mol, XLogP of 4.66, 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]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is sourced from PubChem (CID 118954837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).