2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide

C20H24F2N4O2 — CID 154766792

IUPAC2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
SMILESCOc1cccc2ncnc(N3CCC(NC(=O)C(C)(F)F)C34CCCC4)c12
InChIInChI=1S/C20H24F2N4O2/c1-19(21,22)18(27)25-15-8-11-26(20(15)9-3-4-10-20)17-16-13(23-12-24-17)6-5-7-14(16)28-2/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,25,27)
InChIKeyFORWDWXEETXMHX-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.30
Rot. Bonds4

About 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide

2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide (PubChem CID 154766792) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
PubChem CID154766792
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
SMILESCOc1cccc2ncnc(N3CCC(NC(=O)C(C)(F)F)C34CCCC4)c12
InChIInChI=1S/C20H24F2N4O2/c1-19(21,22)18(27)25-15-8-11-26(20(15)9-3-4-10-20)17-16-13(23-12-24-17)6-5-7-14(16)28-2/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,25,27)
InChIKeyFORWDWXEETXMHX-UHFFFAOYSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide 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-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide (CID 154766792) is 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide is COc1cccc2ncnc(N3CCC(NC(=O)C(C)(F)F)C34CCCC4)c12.
What is the InChIKey of 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide?
The InChIKey is FORWDWXEETXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-19(21,22)18(27)25-15-8-11-26(20(15)9-3-4-10-20)17-16-13(23-12-24-17)6-5-7-14(16)28-2/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,25,27).
What are the key properties of 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide?
2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide has a molecular weight of 390.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide is sourced from PubChem (CID 154766792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).