2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide

C22H21N5O4 — CID 11589811

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C)c4)cc3)c2cc1OC
InChIInChI=1S/C22H21N5O4/c1-27-12-15(11-25-27)26-21(28)8-14-4-6-16(7-5-14)31-22-17-9-19(29-2)20(30-3)10-18(17)23-13-24-22/h4-7,9-13H,8H2,1-3H3,(H,26,28)
InChIKeyRNIJHXFMJVFHLF-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.35
Rot. Bonds7

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 11589811) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID11589811
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C)c4)cc3)c2cc1OC
InChIInChI=1S/C22H21N5O4/c1-27-12-15(11-25-27)26-21(28)8-14-4-6-16(7-5-14)31-22-17-9-19(29-2)20(30-3)10-18(17)23-13-24-22/h4-7,9-13H,8H2,1-3H3,(H,26,28)
InChIKeyRNIJHXFMJVFHLF-UHFFFAOYSA-N
XLogP3.35
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide (CID 11589811) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide is COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C)c4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is RNIJHXFMJVFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-27-12-15(11-25-27)26-21(28)8-14-4-6-16(7-5-14)31-22-17-9-19(29-2)20(30-3)10-18(17)23-13-24-22/h4-7,9-13H,8H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 11589811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).