3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate

C18H15ClN2O3 — CID 30338391

IUPAC3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
SMILESO=C(OCCCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)18(23)24-11-3-10-21-12-20-16-5-2-1-4-15(16)17(21)22/h1-2,4-9,12H,3,10-11H2
InChIKeyUSPZFSLJESNONX-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.30
Rot. Bonds5

About 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate

3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate (PubChem CID 30338391) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
PubChem CID30338391
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
SMILESO=C(OCCCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)18(23)24-11-3-10-21-12-20-16-5-2-1-4-15(16)17(21)22/h1-2,4-9,12H,3,10-11H2
InChIKeyUSPZFSLJESNONX-UHFFFAOYSA-N
XLogP3.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate 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

3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758
3-(4-oxoquinazolin-3-yl)propyl 3-butoxybenzoate
CID 30338475
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
3-(4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
CID 30338582
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[6-[4-(4-chlorophenyl)piperazin-1-yl]-6-oxohexyl]quinazolin-4-one
CID 39337926

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate (CID 30338391) is 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate is O=C(OCCCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate?
The InChIKey is USPZFSLJESNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)18(23)24-11-3-10-21-12-20-16-5-2-1-4-15(16)17(21)22/h1-2,4-9,12H,3,10-11H2.
What are the key properties of 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate?
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate has a molecular weight of 342.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate is sourced from PubChem (CID 30338391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).