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

C24H26N4O5 — CID 35756594

IUPAC3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCn1c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C24H26N4O5/c1-3-28-23(30)18-14-20-21(33-13-12-32-20)15-19(18)25-24(28)27-10-8-26(9-11-27)22(29)16-4-6-17(31-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyPVJCAXJXXHAVID-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.16
Rot. Bonds4

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

3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 35756594) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID35756594
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCCn1c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C24H26N4O5/c1-3-28-23(30)18-14-20-21(33-13-12-32-20)15-19(18)25-24(28)27-10-8-26(9-11-27)22(29)16-4-6-17(31-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyPVJCAXJXXHAVID-UHFFFAOYSA-N
XLogP2.16
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-3-propan-2-yl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756677
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756725
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757193
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 46578887
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
N-(4-ethylphenyl)-2-[[8-oxo-7-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetamide
CID 46370153
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetamide
CID 4088092
6-[(2-chlorophenyl)methylsulfanyl]-7-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 46370129
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 35756594) is 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is CCn1c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is PVJCAXJXXHAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-3-28-23(30)18-14-20-21(33-13-12-32-20)15-19(18)25-24(28)27-10-8-26(9-11-27)22(29)16-4-6-17(31-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 450.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 35756594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).