2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C25H27N5O5 — CID 134814266

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCOc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31)
InChIKeyINYIBEJMXPAZLV-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.41
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 134814266) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID134814266
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCOc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31)
InChIKeyINYIBEJMXPAZLV-UHFFFAOYSA-N
XLogP4.41
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 134814266) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide is COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is INYIBEJMXPAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 477.52 g/mol, XLogP of 4.41, 9 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)oxy-2-methoxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).