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

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Related Compounds

N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide
CID 138042775
N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide
CID 126838765
3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 154771473
N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
CID 126838730
5-methoxy-4-(4-pyridin-3-ylpiperidin-1-yl)quinazoline
CID 136522483
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline
CID 162752945
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 51500861
2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146401964
methyl 1-[5-(3,5-dimethylpiperidin-1-yl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134211180
4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide
CID 152679693
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054

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).