2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one

C25H28N4O5 — CID 35756725

IUPAC2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCCn1c(N2CCN(C(=O)COc3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C25H28N4O5/c1-2-8-29-24(31)19-15-21-22(33-14-13-32-21)16-20(19)26-25(29)28-11-9-27(10-12-28)23(30)17-34-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3
InChIKeyZXDNQGNYFDFXPF-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.31
Rot. Bonds6

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

2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 35756725) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID35756725
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCCn1c(N2CCN(C(=O)COc3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C25H28N4O5/c1-2-8-29-24(31)19-15-21-22(33-14-13-32-21)16-20(19)26-25(29)28-11-9-27(10-12-28)23(30)17-34-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3
InChIKeyZXDNQGNYFDFXPF-UHFFFAOYSA-N
XLogP2.31
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756594
5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35758380
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-(4-methoxyphenyl)-2-[[8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetamide
CID 46369903
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 50980260
3-propan-2-yl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756628
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 35756725) is 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is CCCn1c(N2CCN(C(=O)COc3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is ZXDNQGNYFDFXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-2-8-29-24(31)19-15-21-22(33-14-13-32-21)16-20(19)26-25(29)28-11-9-27(10-12-28)23(30)17-34-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3.
What are the key properties of 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 464.52 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 35756725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).