2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone

C25H28ClN5O2 — CID 59682659

IUPAC2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1
InChIInChI=1S/C25H28ClN5O2/c26-20-10-4-6-12-22(20)33-17-23(32)30-13-15-31(16-14-30)25-28-21-11-5-3-9-19(21)24(29-25)27-18-7-1-2-8-18/h3-6,9-12,18H,1-2,7-8,13-17H2,(H,27,28,29)
InChIKeyHPCWDGKKPRMXFT-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.37
Rot. Bonds6

About 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 59682659) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
PubChem CID59682659
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1
InChIInChI=1S/C25H28ClN5O2/c26-20-10-4-6-12-22(20)33-17-23(32)30-13-15-31(16-14-30)25-28-21-11-5-3-9-19(21)24(29-25)27-18-7-1-2-8-18/h3-6,9-12,18H,1-2,7-8,13-17H2,(H,27,28,29)
InChIKeyHPCWDGKKPRMXFT-UHFFFAOYSA-N
XLogP4.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 59682658
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366185
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone (CID 59682659) is 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone is O=C(COc1ccccc1Cl)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is HPCWDGKKPRMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c26-20-10-4-6-12-22(20)33-17-23(32)30-13-15-31(16-14-30)25-28-21-11-5-3-9-19(21)24(29-25)27-18-7-1-2-8-18/h3-6,9-12,18H,1-2,7-8,13-17H2,(H,27,28,29).
What are the key properties of 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 465.99 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59682659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).