2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide

C28H29F2N7O5S — CID 140769816

IUPAC2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cccc(S(=O)(=O)NCCCF)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C28H29F2N7O5S/c29-7-2-8-34-43(39,40)22-4-1-3-19(25(22)30)18-13-20-26(21(14-18)42-16-24(32)38)35-27(17-5-6-23(31)33-15-17)36-28(20)37-9-11-41-12-10-37/h1,3-6,13-15,34H,2,7-12,16H2,(H2,31,33)(H2,32,38)
InChIKeyTYAJJWOOBRZCHC-UHFFFAOYSA-N
MW613.65 g/mol
LogP2.42
Rot. Bonds11

About 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide

2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide (PubChem CID 140769816) has the molecular formula C28H29F2N7O5S and a molecular weight of 613.65 g/mol. Its IUPAC name is 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide.

Molecular Properties

Compound Name2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide
PubChem CID140769816
Molecular FormulaC28H29F2N7O5S
Molecular Weight613.65 g/mol
Exact Mass613.19
IUPAC Name2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cccc(S(=O)(=O)NCCCF)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C28H29F2N7O5S/c29-7-2-8-34-43(39,40)22-4-1-3-19(25(22)30)18-13-20-26(21(14-18)42-16-24(32)38)35-27(17-5-6-23(31)33-15-17)36-28(20)37-9-11-41-12-10-37/h1,3-6,13-15,34H,2,7-12,16H2,(H2,31,33)(H2,32,38)
InChIKeyTYAJJWOOBRZCHC-UHFFFAOYSA-N
XLogP2.42
TPSA175.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.65
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide 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-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide?
The IUPAC name of 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide (CID 140769816) is 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide.
What is the SMILES notation for 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide?
The canonical SMILES for 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide is NC(=O)COc1cc(-c2cccc(S(=O)(=O)NCCCF)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12.
What is the InChIKey of 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide?
The InChIKey is TYAJJWOOBRZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O5S/c29-7-2-8-34-43(39,40)22-4-1-3-19(25(22)30)18-13-20-26(21(14-18)42-16-24(32)38)35-27(17-5-6-23(31)33-15-17)36-28(20)37-9-11-41-12-10-37/h1,3-6,13-15,34H,2,7-12,16H2,(H2,31,33)(H2,32,38).
What are the key properties of 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide?
2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide has a molecular weight of 613.65 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-3-pyridinyl)-6-[2-fluoro-3-(3-fluoropropylsulfamoyl)phenyl]-4-morpholin-4-ylquinazolin-8-yl]oxyacetamide is sourced from PubChem (CID 140769816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).