2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one

C24H25ClN4O5 — CID 35758054

IUPAC2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C24H25ClN4O5/c1-2-29-23(31)16-13-20-21(33-12-11-32-20)14-18(16)26-24(29)28-9-7-27(8-10-28)22(30)15-34-19-6-4-3-5-17(19)25/h3-6,13-14H,2,7-12,15H2,1H3
InChIKeyFRQBZXUGQNBSIS-UHFFFAOYSA-N
MW484.94 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one

2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 35758054) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID35758054
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Name2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C24H25ClN4O5/c1-2-29-23(31)16-13-20-21(33-12-11-32-20)14-18(16)26-24(29)28-9-7-27(8-10-28)22(30)15-34-19-6-4-3-5-17(19)25/h3-6,13-14H,2,7-12,15H2,1H3
InChIKeyFRQBZXUGQNBSIS-UHFFFAOYSA-N
XLogP2.57
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one with MolForge

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Related Compounds

2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756725
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
2-(2-chlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953597
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
2-(2-chlorophenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516926
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366185
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659
7-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46321140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 35758054) is 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is CCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is FRQBZXUGQNBSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-2-29-23(31)16-13-20-21(33-12-11-32-20)14-18(16)26-24(29)28-9-7-27(8-10-28)22(30)15-34-19-6-4-3-5-17(19)25/h3-6,13-14H,2,7-12,15H2,1H3.
What are the key properties of 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 484.94 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-3-ethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 35758054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).