2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide

C22H21N5O5 — CID 57403506

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
InChIKeyJGFZPZGREYNUPH-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.28
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 57403506) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID57403506
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
InChIKeyJGFZPZGREYNUPH-UHFFFAOYSA-N
XLogP3.28
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-Aminopyrazole quinazoline, 6
CID 11249657
4-Aminopyrazole quinazoline, 5
CID 11330284
4-Aminopyrazole quinazoline, 3
CID 25138093
4-Aminopyrazole quinazoline, 4
CID 25138094
N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-1-Methyl-3-Oxo-2-Phenyl-5-(Pyridin-4-Yl)-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 11963346
Ldc1267
CID 56847486
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 134814268
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179
N-(3-methoxyphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 57396557
3-fluoro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]quinazolin-4-yl}amino)benzonitrile
CID 5329034
1-Benzyl-N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-2-Oxo-1,2-Dihydropyridine-3-Carboxamide
CID 60147015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 57403506) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JGFZPZGREYNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 435.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 57403506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).