3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate

C20H17ClN2O4 — CID 56528156

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)cc1)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H17ClN2O4/c21-15-9-6-14(7-10-15)8-11-18(24)27-13-3-12-23-19(25)16-4-1-2-5-17(16)22-20(23)26/h1-2,4-11H,3,12-13H2,(H,22,26)/b11-8+
InChIKeyXRCJRJSDTQAXST-DHZHZOJOSA-N
MW384.82 g/mol
LogP2.99
Rot. Bonds6

About 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate

3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 56528156) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
PubChem CID56528156
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)cc1)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H17ClN2O4/c21-15-9-6-14(7-10-15)8-11-18(24)27-13-3-12-23-19(25)16-4-1-2-5-17(16)22-20(23)26/h1-2,4-11H,3,12-13H2,(H,22,26)/b11-8+
InChIKeyXRCJRJSDTQAXST-DHZHZOJOSA-N
XLogP2.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
CID 56528222
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate
CID 56528167
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 4-chloro-3-methylsulfonylbenzoate
CID 56528115
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 56528176
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 56528209
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
4-[acetyl-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]amino]butyl 4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
CID 140558184
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 1-ethylindole-2-carboxylate
CID 56528605
3-[4-[3-(4-chlorophenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]-1H-quinazoline-2,4-dione
CID 10138070
(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7504022
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6179575

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate (CID 56528156) is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(Cl)cc1)OCCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is XRCJRJSDTQAXST-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-9-6-14(7-10-15)8-11-18(24)27-13-3-12-23-19(25)16-4-1-2-5-17(16)22-20(23)26/h1-2,4-11H,3,12-13H2,(H,22,26)/b11-8+.
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate?
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 384.82 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 56528156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).