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

C22H23ClN4O2 — CID 70687471

IUPAC2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H23ClN4O2/c1-15-19-13-17(25-21(28)14-29-18-8-5-16(23)6-9-18)7-10-20(19)26-22(24-15)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28)
InChIKeyPTQMJIIDCSMCJT-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.60
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 70687471) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide
PubChem CID70687471
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H23ClN4O2/c1-15-19-13-17(25-21(28)14-29-18-8-5-16(23)6-9-18)7-10-20(19)26-22(24-15)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28)
InChIKeyPTQMJIIDCSMCJT-UHFFFAOYSA-N
XLogP4.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11440885
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide (CID 70687471) is 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide is Cc1nc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is PTQMJIIDCSMCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-15-19-13-17(25-21(28)14-29-18-8-5-16(23)6-9-18)7-10-20(19)26-22(24-15)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 410.91 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 70687471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).