but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium

C24H25FN7O2+ — CID 143805528

IUPACbut-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
SMILESC=CC(C)[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4cnc(C)cn4)c3c2)c(F)c1
InChIInChI=1S/C24H24FN7O2/c1-4-15(2)26-7-8-33-18-10-20(25)24(29-12-18)34-17-5-6-21-19(9-17)23(31-14-30-21)32-22-13-27-16(3)11-28-22/h4-6,9-15,26H,1,7-8H2,2-3H3,(H,28,30,31,32)/p+1
InChIKeyQAWGYPILKXWJBE-UHFFFAOYSA-O
MW462.51 g/mol
LogP3.31
Rot. Bonds10

About but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium

but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium (PubChem CID 143805528) has the molecular formula C24H25FN7O2+ and a molecular weight of 462.51 g/mol. Its IUPAC name is but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium.

Molecular Properties

Compound Namebut-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
PubChem CID143805528
Molecular FormulaC24H25FN7O2+
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namebut-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
SMILESC=CC(C)[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4cnc(C)cn4)c3c2)c(F)c1
InChIInChI=1S/C24H24FN7O2/c1-4-15(2)26-7-8-33-18-10-20(25)24(29-12-18)34-17-5-6-21-19(9-17)23(31-14-30-21)32-22-13-27-16(3)11-28-22/h4-6,9-15,26H,1,7-8H2,2-3H3,(H,28,30,31,32)/p+1
InChIKeyQAWGYPILKXWJBE-UHFFFAOYSA-O
XLogP3.31
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

PQ-10
CID 11955614
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 155803647
2-[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
CID 14069015

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The IUPAC name of but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium (CID 143805528) is but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium.
What is the SMILES notation for but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The canonical SMILES for but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium is C=CC(C)[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4cnc(C)cn4)c3c2)c(F)c1.
What is the InChIKey of but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The InChIKey is QAWGYPILKXWJBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24FN7O2/c1-4-15(2)26-7-8-33-18-10-20(25)24(29-12-18)34-17-5-6-21-19(9-17)23(31-14-30-21)32-22-13-27-16(3)11-28-22/h4-6,9-15,26H,1,7-8H2,2-3H3,(H,28,30,31,32)/p+1.
What are the key properties of but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium has a molecular weight of 462.51 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium is sourced from PubChem (CID 143805528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).