4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide

C26H22N8O2 — CID 162431908

IUPAC4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
SMILESCN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1
InChIInChI=1S/C26H22N8O2/c1-33(2)12-3-4-24(35)31-19-7-10-22-21(14-19)26(29-16-28-22)32-18-5-8-20(9-6-18)36-25-15-23-27-11-13-34(23)17-30-25/h5-11,13-17H,12H2,1-2H3,(H,31,35)(H,28,29,32)
InChIKeyOZDACOSJHAFVRI-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.71
Rot. Bonds6

About 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide

4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide (PubChem CID 162431908) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
PubChem CID162431908
Molecular FormulaC26H22N8O2
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC Name4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
SMILESCN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1
InChIInChI=1S/C26H22N8O2/c1-33(2)12-3-4-24(35)31-19-7-10-22-21(14-19)26(29-16-28-22)32-18-5-8-20(9-6-18)36-25-15-23-27-11-13-34(23)17-30-25/h5-11,13-17H,12H2,1-2H3,(H,31,35)(H,28,29,32)
InChIKeyOZDACOSJHAFVRI-UHFFFAOYSA-N
XLogP3.71
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinazoline-4,6-diamine
CID 137398088
4-(dimethylamino)-N-[4-[4-(1-methyl-6-methylidenepyrimidin-4-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
CID 170109157
N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
CID 162432035
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
4-(dimethylamino)-N-[4-[3-methyl-4-[(1-methyl-2-methylidene-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 170109140
4-N-[4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
CID 137398382
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-2-propylpentanamide
CID 71196517
N-[4-(4-cyclooctyloxyanilino)quinazolin-6-yl]-5-hydroxypent-2-ynamide
CID 162431648
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
CID 88975129
N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 170109098
benzyl 2-cyclononylsulfanyl-5-[[6-[4-(dimethylamino)but-2-ynoylamino]quinazolin-4-yl]amino]benzoate
CID 166924531
[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]urea
CID 145360431

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide (CID 162431908) is 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide is CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nccn5cn4)cc3)c2c1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The InChIKey is OZDACOSJHAFVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-33(2)12-3-4-24(35)31-19-7-10-22-21(14-19)26(29-16-28-22)32-18-5-8-20(9-6-18)36-25-15-23-27-11-13-34(23)17-30-25/h5-11,13-17H,12H2,1-2H3,(H,31,35)(H,28,29,32).
What are the key properties of 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide has a molecular weight of 478.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide is sourced from PubChem (CID 162431908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).