N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide

C23H18N6O2 — CID 162432035

IUPACN-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cnc(C)cn4)cc3)c2c1
InChIInChI=1S/C23H18N6O2/c1-3-4-21(30)28-17-7-10-20-19(11-17)23(27-14-26-20)29-16-5-8-18(9-6-16)31-22-13-24-15(2)12-25-22/h5-14H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyQPCKFRWLCYDWBZ-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.23
Rot. Bonds5

About N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide

N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide (PubChem CID 162432035) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
PubChem CID162432035
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cnc(C)cn4)cc3)c2c1
InChIInChI=1S/C23H18N6O2/c1-3-4-21(30)28-17-7-10-20-19(11-17)23(27-14-26-20)29-16-5-8-18(9-6-16)31-22-13-24-15(2)12-25-22/h5-14H,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyQPCKFRWLCYDWBZ-UHFFFAOYSA-N
XLogP4.23
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 162431908
N-[4-[3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 162431941
N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 170109098
4-(dimethylamino)-N-[4-[4-(1-methyl-6-methylidenepyrimidin-4-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
CID 170109157
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]but-2-ynamide
CID 162431474
3-[[6-(but-2-ynoylamino)quinazolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273488
N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431934
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
4-[6-(but-2-ynoylamino)quinolin-4-yl]oxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 121273577
3-(1-methylcyclopropyl)-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]prop-2-ynamide
CID 162431714
N-[4-(4-cyclooctylsulfanylanilino)quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide
CID 162431650

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide?
The IUPAC name of N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide (CID 162432035) is N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide.
What is the SMILES notation for N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide?
The canonical SMILES for N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide is CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cnc(C)cn4)cc3)c2c1.
What is the InChIKey of N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide?
The InChIKey is QPCKFRWLCYDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-3-4-21(30)28-17-7-10-20-19(11-17)23(27-14-26-20)29-16-5-8-18(9-6-16)31-22-13-24-15(2)12-25-22/h5-14H,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide?
N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide has a molecular weight of 410.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide is sourced from PubChem (CID 162432035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).