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

C21H21ClN4O2 — CID 11440885

IUPAC2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccccc3Cl)cc12
InChIInChI=1S/C21H21ClN4O2/c1-14-16-12-15(24-20(27)13-28-19-7-3-2-6-17(19)22)8-9-18(16)25-21(23-14)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,27)
InChIKeyXIYWAMFWFFFEQL-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.21
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 11440885) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
PubChem CID11440885
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccccc3Cl)cc12
InChIInChI=1S/C21H21ClN4O2/c1-14-16-12-15(24-20(27)13-28-19-7-3-2-6-17(19)22)8-9-18(16)25-21(23-14)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,27)
InChIKeyXIYWAMFWFFFEQL-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (CID 11440885) is 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccccc3Cl)cc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is XIYWAMFWFFFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-16-12-15(24-20(27)13-28-19-7-3-2-6-17(19)22)8-9-18(16)25-21(23-14)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,27).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 396.88 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 11440885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).