2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide

C26H30ClN5O2 — CID 70685336

IUPAC2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide
SMILESCc1nc(N2CCN(C3CCCC3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H30ClN5O2/c1-18-23-16-20(29-25(33)17-34-22-9-6-19(27)7-10-22)8-11-24(23)30-26(28-18)32-14-12-31(13-15-32)21-4-2-3-5-21/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,29,33)
InChIKeyCWQVPDXDLVYEED-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.67
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide (PubChem CID 70685336) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide
PubChem CID70685336
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide
SMILESCc1nc(N2CCN(C3CCCC3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H30ClN5O2/c1-18-23-16-20(29-25(33)17-34-22-9-6-19(27)7-10-22)8-11-24(23)30-26(28-18)32-14-12-31(13-15-32)21-4-2-3-5-21/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,29,33)
InChIKeyCWQVPDXDLVYEED-UHFFFAOYSA-N
XLogP4.67
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide (CID 70685336) is 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide is Cc1nc(N2CCN(C3CCCC3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide?
The InChIKey is CWQVPDXDLVYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-18-23-16-20(29-25(33)17-34-22-9-6-19(27)7-10-22)8-11-24(23)30-26(28-18)32-14-12-31(13-15-32)21-4-2-3-5-21/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,29,33).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide has a molecular weight of 480.01 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide is sourced from PubChem (CID 70685336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).