2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide

C22H24N4O3 — CID 11440762

IUPAC2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nc(N4CCCC4)nc(C)c3c2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-19-13-16(5-10-20(19)25-22(23-15)26-11-3-4-12-26)24-21(27)14-29-18-8-6-17(28-2)7-9-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,27)
InChIKeyYXNSFDJSYOVION-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide

2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 11440762) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
PubChem CID11440762
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nc(N4CCCC4)nc(C)c3c2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-19-13-16(5-10-20(19)25-22(23-15)26-11-3-4-12-26)24-21(27)14-29-18-8-6-17(28-2)7-9-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,27)
InChIKeyYXNSFDJSYOVION-UHFFFAOYSA-N
XLogP3.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (CID 11440762) is 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is COc1ccc(OCC(=O)Nc2ccc3nc(N4CCCC4)nc(C)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is YXNSFDJSYOVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-19-13-16(5-10-20(19)25-22(23-15)26-11-3-4-12-26)24-21(27)14-29-18-8-6-17(28-2)7-9-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 11440762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).