2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide

C26H24ClFN6O2 — CID 118954895

IUPAC2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide
SMILESCNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1C
InChIInChI=1S/C26H24ClFN6O2/c1-15-24(31-6-5-30-15)23(26(35)29-2)18-12-19(21(28)13-20(18)27)25-17-4-3-16(11-22(17)32-14-33-25)34-7-9-36-10-8-34/h3-6,11-14,23H,7-10H2,1-2H3,(H,29,35)
InChIKeyODLHJEBFKWXYOW-UHFFFAOYSA-N
MW506.97 g/mol
LogP3.90
Rot. Bonds5

About 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide

2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide (PubChem CID 118954895) has the molecular formula C26H24ClFN6O2 and a molecular weight of 506.97 g/mol. Its IUPAC name is 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide
PubChem CID118954895
Molecular FormulaC26H24ClFN6O2
Molecular Weight506.97 g/mol
Exact Mass506.16
IUPAC Name2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide
SMILESCNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1C
InChIInChI=1S/C26H24ClFN6O2/c1-15-24(31-6-5-30-15)23(26(35)29-2)18-12-19(21(28)13-20(18)27)25-17-4-3-16(11-22(17)32-14-33-25)34-7-9-36-10-8-34/h3-6,11-14,23H,7-10H2,1-2H3,(H,29,35)
InChIKeyODLHJEBFKWXYOW-UHFFFAOYSA-N
XLogP3.90
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide?
The IUPAC name of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide (CID 118954895) is 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide?
The canonical SMILES for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide is CNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1nccnc1C.
What is the InChIKey of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide?
The InChIKey is ODLHJEBFKWXYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O2/c1-15-24(31-6-5-30-15)23(26(35)29-2)18-12-19(21(28)13-20(18)27)25-17-4-3-16(11-22(17)32-14-33-25)34-7-9-36-10-8-34/h3-6,11-14,23H,7-10H2,1-2H3,(H,29,35).
What are the key properties of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide?
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide has a molecular weight of 506.97 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-N-methyl-2-(3-methylpyrazin-2-yl)acetamide is sourced from PubChem (CID 118954895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).