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

C23H20ClFN6O2 — CID 118954853

IUPAC(3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESNc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O2/c24-17-11-18(25)16(10-15(17)22(32)21-23(26)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,(H2,26,28)
InChIKeyNLBRAVXIOQVDEK-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.38
Rot. Bonds4

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

(3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 118954853) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID118954853
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name(3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESNc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O2/c24-17-11-18(25)16(10-15(17)22(32)21-23(26)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,(H2,26,28)
InChIKeyNLBRAVXIOQVDEK-UHFFFAOYSA-N
XLogP3.38
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 118954853) is (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is Nc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is NLBRAVXIOQVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-17-11-18(25)16(10-15(17)22(32)21-23(26)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,(H2,26,28).
What are the key properties of (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 466.90 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 118954853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).